 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895303/Gau-30993.inp" -scrdir="/scratch/9895303/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     30995.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer03_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:13:53 2022, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer03_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.802701000000      1.185868000000     -0.155223000000
  C                                                -1.539114000000     -0.058168000000      0.301617000000
  C                                                 0.694862000000      1.030292000000      0.045515000000
  C                                                 1.190748000000     -0.254953000000     -0.615577000000
  O                                                 0.429294000000     -1.375454000000     -0.150440000000
  C                                                -0.958807000000     -1.274656000000     -0.405424000000
  O                                                -1.212443000000      2.340377000000      0.564498000000
  H                                                -0.996847000000      1.328656000000     -1.227279000000
  O                                                -2.912981000000      0.125709000000     -0.006195000000
  H                                                -1.394142000000     -0.197407000000      1.379285000000
  H                                                 0.904711000000      0.974487000000      1.119148000000
  O                                                 1.399422000000      2.110875000000     -0.544610000000
  C                                                 2.641121000000     -0.568017000000     -0.289807000000
  H                                                 1.084130000000     -0.152517000000     -1.704362000000
  O                                                -1.593558000000     -2.403373000000      0.110234000000
  H                                                -1.121572000000     -1.189787000000     -1.491375000000
  H                                                -2.171127000000      2.411548000000      0.483789000000
  H                                                -3.392257000000     -0.655851000000      0.292660000000
  H                                                 1.018230000000      2.925417000000     -0.195277000000
  O                                                 2.840914000000     -0.797107000000      1.093949000000
  H                                                 3.260544000000      0.283592000000     -0.566380000000
  H                                                 2.952873000000     -1.437215000000     -0.881027000000
  H                                                -1.324223000000     -3.177621000000     -0.397061000000
  H                                                 2.217854000000     -1.483716000000      1.361779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:13:53 2022, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516124   0.000000
     3  C    1.518945   2.498196   0.000000
     4  C    2.502345   2.886540   1.528005   0.000000
     5  O    2.842218   2.411271   2.428279   1.432371   0.000000
     6  C    2.478134   1.522007   2.872412   2.388419   1.414921
     7  O    1.420837   2.434921   2.371387   3.728759   4.124783
     8  H    1.098811   2.134211   2.137967   2.769038   3.241245
     9  O    2.366311   1.419884   3.719876   4.166154   3.666756
    10  H    2.148946   1.096254   2.765886   3.265646   2.655706
    11  H    2.141018   2.776151   1.095371   2.145370   2.712950
    12  O    2.420043   3.749112   1.418560   2.376073   3.640193
    13  C    3.867058   4.252540   2.540661   1.519117   2.358719
    14  H    2.784104   3.303674   2.147705   1.098778   2.083041
    15  O    3.684912   2.353631   4.126877   3.590943   2.283966
    16  H    2.744215   2.160954   3.254261   2.643437   2.058583
    17  H    1.945049   2.555802   3.211518   4.429564   4.637437
    18  H    3.209101   1.947163   4.428171   4.689301   3.913875
    19  H    2.518616   3.960895   1.937536   3.212657   4.341238
    20  O    4.332269   4.512036   3.007348   2.437100   2.774689
    21  H    4.182477   4.889472   2.741295   2.139277   3.307781
    22  H    4.638070   4.845448   3.470689   2.138526   2.627931
    23  H    4.401194   3.203953   4.688188   3.861971   2.526549
    24  H    4.307171   4.155832   3.220604   2.544551   2.344669
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.751472   0.000000
     8  H    2.730225   2.068943   0.000000
     9  O    2.437048   2.849960   2.570933   0.000000
    10  H    2.129593   2.671561   3.046455   2.081065   0.000000
    11  H    3.294793   2.579851   3.040901   4.069594   2.593402
    12  O    4.128249   2.846863   2.611515   4.777823   4.102869
    13  C    3.670448   4.902912   4.208448   5.604439   4.382530
    14  H    2.668338   4.078786   2.598451   4.351790   3.956353
    15  O    1.393849   4.780666   4.009120   2.854941   2.552752
    16  H    1.101356   4.086188   2.535322   2.673095   3.049558
    17  H    3.981020   0.964704   2.340800   2.452650   2.865705
    18  H    2.606131   3.715221   3.462148   0.964290   2.320213
    19  H    4.646875   2.428051   2.770417   4.829962   4.248625
    20  O    4.112670   5.153041   4.963404   5.930364   4.286812
    21  H    4.500774   5.051422   4.433320   6.200899   5.067847
    22  H    3.943839   5.805997   4.834276   6.133213   5.053976
    23  H    1.937750   5.602267   4.593797   3.686315   3.470154
    24  H    3.641138   5.198681   4.994693   5.548610   3.834242
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074658   0.000000
    13  C    2.716541   2.963647   0.000000
    14  H    3.045413   2.562689   2.144254   0.000000
    15  O    4.320786   5.455748   4.632609   3.940701   0.000000
    16  H    3.950283   4.259829   3.998528   2.446715   2.064149
    17  H    3.453926   3.727845   5.712617   4.686057   4.863804
    18  H    4.669584   5.596068   6.062065   4.927421   2.514444
    19  H    2.355149   0.964790   3.853154   3.428609   5.942287
    20  O    2.624512   3.635813   1.416750   3.366353   4.817917
    21  H    2.977967   2.608297   1.088768   2.494388   5.589266
    22  H    3.743257   3.887844   1.096465   2.412577   4.752483
    23  H    4.950458   5.950479   4.748209   4.081722   0.964028
    24  H    2.797495   4.150329   1.935303   3.529680   4.115701
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.239393   0.000000
    18  H    2.936644   3.307057   0.000000
    19  H    4.815966   3.301089   5.702277   0.000000
    20  O    4.747567   5.982334   6.286051   4.340676   0.000000
    21  H    4.714807   5.927403   6.773497   3.484958   2.025017
    22  H    4.127329   6.552181   6.499904   4.821375   2.079135
    23  H    2.278174   5.721185   3.333437   6.540250   5.023776
    24  H    4.402119   5.933557   5.770764   4.827419   0.965074
                   21         22         23         24
    21  H    0.000000
    22  H    1.776187   0.000000
    23  H    5.747065   4.642929   0.000000
    24  H    2.815737   2.360634   4.302225   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1719254           0.8169867           0.5340835
 Leave Link  202 at Wed Mar 16 19:13:53 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       832.2526422312 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0394411670 Hartrees.
 Nuclear repulsion after empirical dispersion term =      832.2132010642 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1719
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.27D-09
 GePol: Maximum weight of points                     =    0.20322
 GePol: Number of points with low weight             =     103
 GePol: Fraction of low-weight points (<1% of avg)   =       5.99%
 GePol: Cavity surface area                          =    225.709 Ang**2
 GePol: Cavity volume                                =    232.645 Ang**3
 Leave Link  301 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               9.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  5.61D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer03_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:13:58 2022, MaxMem=  5368709120 cpu:              15.4 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8864883.
 Iteration    1 A*A^-1 deviation from unit magnitude is 2.89D-15 for   1697.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.93D-15 for   1466     11.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.66D-15 for   1700.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.85D-15 for   1718    554.
 E= -687.338764677328    
 DIIS: error= 2.17D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.338764677328     IErMin= 1 ErrMin= 2.17D-03
 ErrMax= 2.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-03 BMatP= 9.32D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.17D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.298 Goal=   None    Shift=    0.000
 GapD=    0.298 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.28D-02 MaxDP=9.03D-01              OVMax= 2.14D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.27D-02    CP:  1.06D+00
 E= -687.348245784605     Delta-E=       -0.009481107278 Rises=F Damp=F
 DIIS: error= 2.85D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.348245784605     IErMin= 2 ErrMin= 2.85D-04
 ErrMax= 2.85D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-04 BMatP= 9.32D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.85D-03
 Coeff-Com: -0.410D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.408D-02 0.100D+01
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=7.51D-04 MaxDP=7.23D-02 DE=-9.48D-03 OVMax= 3.00D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.20D-04    CP:  1.04D+00  1.03D+00
 E= -687.348116569706     Delta-E=        0.000129214899 Rises=F Damp=F
 DIIS: error= 4.26D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -687.348245784605     IErMin= 2 ErrMin= 2.85D-04
 ErrMax= 4.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.99D-04 BMatP= 1.80D-04
 IDIUse=3 WtCom= 3.26D-01 WtEn= 6.74D-01
 Coeff-Com: -0.152D-01 0.613D+00 0.402D+00
 Coeff-En:   0.000D+00 0.643D+00 0.357D+00
 Coeff:     -0.495D-02 0.634D+00 0.371D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=9.70D-05 MaxDP=1.01D-02 DE= 1.29D-04 OVMax= 1.83D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.64D-05    CP:  1.04D+00  1.03D+00  9.28D-01
 E= -687.348398224768     Delta-E=       -0.000281655061 Rises=F Damp=F
 DIIS: error= 2.76D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.348398224768     IErMin= 4 ErrMin= 2.76D-05
 ErrMax= 2.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-06 BMatP= 1.80D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.338D-02 0.968D-01 0.423D-01 0.864D+00
 Coeff:     -0.338D-02 0.968D-01 0.423D-01 0.864D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=2.78D-05 MaxDP=1.72D-03 DE=-2.82D-04 OVMax= 2.60D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.71D-05    CP:  1.04D+00  1.03D+00  9.54D-01  1.14D+00
 E= -687.348398783410     Delta-E=       -0.000000558642 Rises=F Damp=F
 DIIS: error= 2.01D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.348398783410     IErMin= 5 ErrMin= 2.01D-05
 ErrMax= 2.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.51D-07 BMatP= 1.03D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.662D-03 0.181D-03-0.103D-01 0.454D+00 0.556D+00
 Coeff:     -0.662D-03 0.181D-03-0.103D-01 0.454D+00 0.556D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=8.99D-06 MaxDP=6.63D-04 DE=-5.59D-07 OVMax= 1.04D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.61D-06    CP:  1.04D+00  1.03D+00  9.63D-01  1.15D+00  7.22D-01
 E= -687.348399296004     Delta-E=       -0.000000512593 Rises=F Damp=F
 DIIS: error= 2.34D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.348399296004     IErMin= 6 ErrMin= 2.34D-06
 ErrMax= 2.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-08 BMatP= 5.51D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-04-0.727D-02-0.637D-02 0.111D+00 0.207D+00 0.695D+00
 Coeff:      0.202D-04-0.727D-02-0.637D-02 0.111D+00 0.207D+00 0.695D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.89D-06 MaxDP=2.25D-04 DE=-5.13D-07 OVMax= 2.54D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.04D+00  1.03D+00  9.65D-01  1.15D+00  7.55D-01
                    CP:  9.54D-01
 E= -687.348399306879     Delta-E=       -0.000000010876 Rises=F Damp=F
 DIIS: error= 1.29D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.348399306879     IErMin= 7 ErrMin= 1.29D-06
 ErrMax= 1.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-09 BMatP= 1.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.649D-04-0.412D-02-0.261D-02 0.290D-01 0.739D-01 0.380D+00
 Coeff-Com:  0.523D+00
 Coeff:      0.649D-04-0.412D-02-0.261D-02 0.290D-01 0.739D-01 0.380D+00
 Coeff:      0.523D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=4.12D-07 MaxDP=2.21D-05 DE=-1.09D-08 OVMax= 9.81D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.04D-07    CP:  1.04D+00  1.03D+00  9.65D-01  1.15D+00  7.65D-01
                    CP:  9.56D-01  9.07D-01
 E= -687.348399309000     Delta-E=       -0.000000002121 Rises=F Damp=F
 DIIS: error= 2.77D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.348399309000     IErMin= 8 ErrMin= 2.77D-07
 ErrMax= 2.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-10 BMatP= 3.15D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-04-0.490D-03 0.447D-04-0.379D-02-0.673D-03 0.501D-01
 Coeff-Com:  0.212D+00 0.743D+00
 Coeff:      0.182D-04-0.490D-03 0.447D-04-0.379D-02-0.673D-03 0.501D-01
 Coeff:      0.212D+00 0.743D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.21D-07 MaxDP=8.49D-06 DE=-2.12D-09 OVMax= 2.21D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.12D-08    CP:  1.04D+00  1.03D+00  9.65D-01  1.15D+00  7.63D-01
                    CP:  9.66D-01  9.54D-01  9.16D-01
 E= -687.348399309174     Delta-E=       -0.000000000174 Rises=F Damp=F
 DIIS: error= 5.77D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.348399309174     IErMin= 9 ErrMin= 5.77D-08
 ErrMax= 5.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.26D-12 BMatP= 1.66D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.445D-05-0.489D-04 0.128D-03-0.264D-02-0.279D-02 0.835D-02
 Coeff-Com:  0.726D-01 0.323D+00 0.601D+00
 Coeff:      0.445D-05-0.489D-04 0.128D-03-0.264D-02-0.279D-02 0.835D-02
 Coeff:      0.726D-01 0.323D+00 0.601D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=3.37D-08 MaxDP=2.76D-06 DE=-1.74D-10 OVMax= 4.76D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.56D-08    CP:  1.04D+00  1.03D+00  9.65D-01  1.15D+00  7.63D-01
                    CP:  9.66D-01  9.62D-01  9.17D-01  9.04D-01
 E= -687.348399309168     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 2.10D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -687.348399309174     IErMin=10 ErrMin= 2.10D-08
 ErrMax= 2.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-12 BMatP= 8.26D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.821D-06 0.187D-04 0.587D-04-0.101D-02-0.128D-02-0.586D-03
 Coeff-Com:  0.163D-01 0.947D-01 0.329D+00 0.563D+00
 Coeff:      0.821D-06 0.187D-04 0.587D-04-0.101D-02-0.128D-02-0.586D-03
 Coeff:      0.163D-01 0.947D-01 0.329D+00 0.563D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.31D-08 MaxDP=1.59D-06 DE= 5.46D-12 OVMax= 1.92D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.90D-09    CP:  1.04D+00  1.03D+00  9.65D-01  1.15D+00  7.63D-01
                    CP:  9.67D-01  9.62D-01  9.21D-01  9.20D-01  9.16D-01
 E= -687.348399309246     Delta-E=       -0.000000000077 Rises=F Damp=F
 DIIS: error= 6.98D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -687.348399309246     IErMin=11 ErrMin= 6.98D-09
 ErrMax= 6.98D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-13 BMatP= 1.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.152D-08 0.148D-04 0.185D-04-0.307D-03-0.410D-03-0.115D-02
 Coeff-Com:  0.137D-02 0.184D-01 0.115D+00 0.278D+00 0.589D+00
 Coeff:      0.152D-08 0.148D-04 0.185D-04-0.307D-03-0.410D-03-0.115D-02
 Coeff:      0.137D-02 0.184D-01 0.115D+00 0.278D+00 0.589D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=3.68D-09 MaxDP=4.03D-07 DE=-7.73D-11 OVMax= 6.44D-08

 Error on total polarization charges =  0.01522
 SCF Done:  E(RB3LYP) =  -687.348399309     A.U. after   11 cycles
            NFock= 11  Conv=0.37D-08     -V/T= 2.0057
 KE= 6.834288403907D+02 PE=-3.277125926865D+03 EE= 1.074135486101D+03
 Leave Link  502 at Wed Mar 16 19:17:36 2022, MaxMem=  5368709120 cpu:            1738.6 elap:             218.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.66180053D+02

 Leave Link  801 at Wed Mar 16 19:17:36 2022, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8864883.
 Iteration    1 A*A^-1 deviation from unit magnitude is 2.89D-15 for   1697.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.93D-15 for   1466     11.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.66D-15 for   1700.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.85D-15 for   1718    554.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 2.09D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.67D-01 6.06D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 4.44D-02 3.23D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 3.44D-03 8.49D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 4.81D-04 2.74D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 3.16D-05 8.89D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 7.22D-07 9.74D-05.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 2.40D-08 1.63D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 5.15D-10 2.40D-06.
      8 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 5.26D-12 2.15D-07.
      2 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 6.31D-14 2.06D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.124281D+03
      2  0.160282D+01  0.117065D+03
      3 -0.160958D+01 -0.381317D+00  0.101574D+03
 Isotropic polarizability for W=    0.088559      114.31 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.216968D+02 -0.145680D+02  0.110708D+02
      2  -0.239827D+02  0.129236D+02  0.108295D+02
      3   0.228589D+01  0.164435D+01 -0.219004D+02
      4  -0.124655D+02 -0.757718D+01 -0.111019D+02
      5  -0.103312D+02 -0.100789D+02  0.318620D+02
      6  -0.860980D+01 -0.991423D+01 -0.248071D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.186279D+01 -0.100343D+02 -0.182095D+01
      2   0.126513D+02 -0.320482D+01  0.152749D+02
      3   0.172969D+01 -0.903329D+01  0.147829D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.102299D+01 -0.207438D+02  0.412507D+01
      2   0.214021D+02 -0.249208D+01  0.295761D+02
      3   0.210246D+01 -0.164055D+02  0.146909D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.607517D+00 -0.571950D+00  0.801256D+00
      2  -0.571950D+00  0.104752D+01  0.859376D-01
      3   0.801256D+00  0.859376D-01 -0.303743D+00
 OR G Eigenvalues:    -1.3746     0.2652     1.2457  Iso=    -0.0454
 Eigenvectors:
   (1)   0.775847   0.204381  -0.596901
   (2)   0.530497   0.300789   0.792527
   (3)  -0.341518   0.931533  -0.124943
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0454 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      -12.78 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 2.22D+02
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     188
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.09D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 4.08D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 7.13D-02 1.92D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.14D-03 4.16D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 2.04D-05 3.85D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 3.25D-07 5.26D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.89D-09 4.61D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 8.23D-12 2.58D-07.
     11 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 2.28D-14 1.39D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.40D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.40D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.64D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124281D+03  0.160282D+01 -0.160958D+01
      2   0.160282D+01  0.117065D+03 -0.381317D+00
      3  -0.160958D+01 -0.381317D+00  0.101574D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.186279D+01 -0.100343D+02 -0.182095D+01
      2   0.126513D+02 -0.320482D+01  0.152749D+02
      3   0.172969D+01 -0.903329D+01  0.147829D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.216968D+02 -0.145680D+02  0.110708D+02
      2  -0.239827D+02  0.129236D+02  0.108295D+02
      3   0.228589D+01  0.164435D+01 -0.219004D+02
      4  -0.124655D+02 -0.757718D+01 -0.111019D+02
      5  -0.103312D+02 -0.100789D+02  0.318620D+02
      6  -0.860980D+01 -0.991423D+01 -0.248071D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.451505D+01  0.472149D+00  0.657228D-01 -0.268779D+00  0.373554D+01
      2   0.472149D+00  0.445157D+01  0.261282D+00  0.373554D+01 -0.205753D+01
      3   0.657228D-01  0.261282D+00  0.135778D+01  0.704831D+00 -0.191568D+01
                 6             7             8             9            10 
      1   0.704831D+00 -0.363634D+00  0.565528D+00  0.223592D+01  0.635778D+01
      2  -0.191568D+01  0.565528D+00 -0.351275D+01 -0.213694D+01 -0.102491D+01
      3  -0.162261D+00  0.223592D+01 -0.213694D+01  0.116015D+02  0.106988D-01
                11            12            13            14            15 
      1  -0.102491D+01  0.106988D-01 -0.119553D+01 -0.348053D+01 -0.172067D+00
      2  -0.349234D+01 -0.531101D-02 -0.348053D+01 -0.436162D+00  0.120417D+01
      3  -0.531101D-02 -0.419485D+01 -0.172067D+00  0.120417D+01  0.240456D+01
                16            17            18            19            20 
      1   0.143925D+01 -0.522359D+00 -0.210457D+01  0.385788D+01 -0.575993D+00
      2  -0.522359D+00  0.230495D+01  0.154880D+01 -0.575993D+00 -0.369976D+01
      3  -0.210457D+01  0.154880D+01 -0.109023D+02  0.849412D-01  0.604145D+00
                21            22            23            24            25 
      1   0.849412D-01 -0.110351D+01 -0.504558D+01  0.278007D+00  0.103378D+01
      2   0.604145D+00 -0.504558D+01  0.875762D+00  0.214323D+01  0.809536D+00
      3  -0.112301D+01  0.278007D+00  0.214323D+01  0.240746D+01 -0.222612D+01
                26            27            28            29            30 
      1   0.809536D+00 -0.222612D+01 -0.191626D+01  0.278714D+01 -0.586098D+00
      2   0.312510D+01  0.135594D+01  0.278714D+01  0.367732D+01 -0.247284D+00
      3   0.135594D+01 -0.105037D+02 -0.586098D+00 -0.247284D+00  0.406991D+00
                31            32            33            34            35 
      1   0.307070D+01  0.493292D+01  0.109677D+01 -0.288488D+01  0.608751D+00
      2   0.493292D+01 -0.119372D+01 -0.222498D+01  0.608751D+00 -0.314340D+01
      3   0.109677D+01 -0.222498D+01 -0.251362D+01  0.433911D+00 -0.108905D+01
                36            37            38            39            40 
      1   0.433911D+00  0.645624D+01 -0.237621D+01 -0.518904D+00 -0.404184D+01
      2  -0.108905D+01 -0.237621D+01 -0.196580D+00 -0.315412D+00 -0.140253D+01
      3   0.102045D+02 -0.518904D+00 -0.315412D+00 -0.750716D+00 -0.391600D+00
                41            42            43            44            45 
      1  -0.140253D+01 -0.391600D+00  0.278616D+01  0.681886D+00  0.127289D+00
      2  -0.469346D+01  0.794731D+00  0.681886D+00  0.178399D+01 -0.551036D+00
      3   0.794731D+00  0.130853D+01  0.127289D+00 -0.551036D+00 -0.198483D+01
                46            47            48            49            50 
      1  -0.621080D+01 -0.491696D+00  0.557325D+00  0.147082D+01  0.342896D+01
      2  -0.491696D+00  0.114516D+01  0.688387D+00  0.342896D+01 -0.857595D+00
      3   0.557325D+00  0.688387D+00  0.219389D+01 -0.341569D+00 -0.142488D+01
                51            52            53            54            55 
      1  -0.341569D+00 -0.934965D+00  0.165308D-01  0.261694D+01  0.634815D+01
      2  -0.142488D+01  0.165308D-01 -0.248790D+01 -0.965267D+00 -0.126849D+00
      3  -0.371243D+01  0.261694D+01 -0.965267D+00  0.112626D+02  0.592342D+00
                56            57            58            59            60 
      1  -0.126849D+00  0.592342D+00  0.942432D+00 -0.186639D+01 -0.502447D+00
      2   0.671155D+00  0.272408D+00 -0.186639D+01  0.831927D+01  0.219878D+01
      3   0.272408D+00  0.956982D+00 -0.502447D+00  0.219878D+01 -0.277036D+00
                61            62            63            64            65 
      1   0.156199D+01 -0.102231D+01 -0.106570D+01 -0.130353D+00  0.398650D-01
      2  -0.102231D+01  0.356149D+01  0.237088D+01  0.398650D-01 -0.112825D+01
      3  -0.106570D+01  0.237088D+01  0.225976D+00 -0.133634D+01  0.179728D+00
                66            67            68            69            70 
      1  -0.133634D+01  0.288152D+00 -0.884318D+00  0.142081D+00 -0.245820D+01
      2   0.179728D+00 -0.884318D+00  0.895119D+00 -0.116196D+01  0.371585D+00
      3  -0.115403D+01  0.142081D+00 -0.116196D+01  0.997535D+00 -0.135485D+01
                71            72            73            74            75 
      1   0.371585D+00 -0.135485D+01 -0.847273D+01  0.285175D+01 -0.113548D+00
      2  -0.213832D+01  0.135695D+01  0.285175D+01  0.134718D+01 -0.809411D+00
      3   0.135695D+01 -0.935147D+01 -0.113548D+00 -0.809411D+00  0.173344D+01
                76            77            78            79            80 
      1   0.611593D+01  0.625080D+00 -0.844891D+00 -0.320281D+01 -0.815922D+00
      2   0.625080D+00  0.434739D+01 -0.122104D+01 -0.815922D+00 -0.181228D+01
      3  -0.844891D+00 -0.122104D+01  0.874721D+00 -0.105687D+01  0.299955D+00
                81            82            83            84            85 
      1  -0.105687D+01 -0.999189D-01  0.541460D-01  0.131064D+01 -0.191591D+00
      2   0.299955D+00  0.541460D-01  0.779025D+00 -0.479183D-01  0.732189D+00
      3   0.153684D+00  0.131064D+01 -0.479183D-01  0.121699D+01 -0.673208D-01
                86            87            88            89            90 
      1   0.732189D+00 -0.673208D-01  0.230651D+01  0.114832D+00  0.295561D+00
      2  -0.608977D+00  0.103965D+01  0.114832D+00  0.183824D+01 -0.930393D+00
      3   0.103965D+01 -0.130417D+01  0.295561D+00 -0.930393D+00  0.986225D+01
                91            92            93            94            95 
      1   0.528028D+00 -0.287718D+00  0.134307D+01 -0.426633D-01  0.118037D+01
      2  -0.287718D+00  0.124503D+01 -0.180564D-01  0.118037D+01 -0.416063D+00
      3   0.134307D+01 -0.180564D-01  0.105441D+01  0.410164D-01  0.955668D+00
                96            97            98            99           100 
      1   0.410164D-01  0.260182D+01 -0.274560D+00  0.152900D+01  0.464054D+01
      2   0.955668D+00 -0.274560D+00  0.206143D+01 -0.117841D+00  0.244426D+01
      3  -0.187263D+00  0.152900D+01 -0.117841D+00  0.896371D+01 -0.143256D+01
               101           102           103           104           105 
      1   0.244426D+01 -0.143256D+01  0.102004D+01  0.442355D+01 -0.976686D-01
      2   0.519134D+01 -0.971448D-02  0.442355D+01 -0.964679D+00 -0.224399D+01
      3  -0.971448D-02  0.581124D+00 -0.976686D-01 -0.224399D+01 -0.173197D+01
               106           107           108           109           110 
      1  -0.218090D+01 -0.779291D+00  0.172191D+01  0.296465D+01 -0.284125D+01
      2  -0.779291D+00 -0.452922D+01  0.925200D+00 -0.284125D+01 -0.317167D+01
      3   0.172191D+01  0.925200D+00 -0.543719D+00  0.201426D+01 -0.280389D+00
               111           112           113           114           115 
      1   0.201426D+01 -0.235390D+01 -0.571317D+01 -0.748426D+00  0.358308D+01
      2  -0.280389D+00 -0.571317D+01  0.134182D+01  0.497135D+01 -0.105144D+01
      3  -0.540232D+00 -0.748426D+00  0.497135D+01  0.266488D+01 -0.453607D+01
               116           117           118           119           120 
      1  -0.105144D+01 -0.453607D+01  0.465274D+00 -0.183140D+00 -0.160882D+01
      2   0.505565D+01  0.354959D+01 -0.183140D+00 -0.557746D+00  0.658034D-01
      3   0.354959D+01 -0.620282D+00 -0.160882D+01  0.658034D-01 -0.250142D+00
               121           122           123           124           125 
      1  -0.168949D+00 -0.512794D+00 -0.310261D+00 -0.231297D+01 -0.377749D+00
      2  -0.512794D+00  0.740532D+00 -0.119473D+01 -0.377749D+00 -0.166604D+01
      3  -0.310261D+00 -0.119473D+01  0.752010D+00  0.685614D+00  0.625656D+00
               126           127           128           129           130 
      1   0.685614D+00 -0.315246D+01 -0.237856D+01  0.990816D+00 -0.162277D+01
      2   0.625656D+00 -0.237856D+01 -0.391382D+01 -0.292354D+00 -0.306733D+01
      3  -0.107904D+02  0.990816D+00 -0.292354D+00 -0.358105D+00 -0.464113D-01
               131           132           133           134           135 
      1  -0.306733D+01 -0.464113D-01  0.230704D+01  0.628024D+00 -0.144915D+01
      2   0.228253D+01  0.290329D+01  0.628024D+00  0.630873D+01 -0.190077D+00
      3   0.290329D+01  0.214488D+01 -0.144915D+01 -0.190077D+00  0.723155D+00
               136           137           138           139           140 
      1  -0.486147D+00 -0.529123D-01 -0.167755D+01 -0.186761D-01 -0.761328D+00
      2  -0.529123D-01 -0.427728D+00 -0.362498D+00 -0.761328D+00  0.108725D+00
      3  -0.167755D+01 -0.362498D+00 -0.128636D+01  0.133494D+00 -0.102964D+01
               141           142           143           144           145 
      1   0.133494D+00 -0.297959D+01 -0.615027D+00 -0.200064D+01 -0.882676D+01
      2  -0.102964D+01 -0.615027D+00 -0.174558D+01 -0.445225D+00  0.318030D+01
      3   0.666728D+00 -0.200064D+01 -0.445225D+00 -0.100765D+02  0.681591D+00
               146           147           148           149           150 
      1   0.318030D+01  0.681591D+00  0.175595D+01 -0.134633D+01 -0.190411D+00
      2  -0.376142D+01 -0.649260D+00 -0.134633D+01  0.134108D+01  0.272862D-01
      3  -0.649260D+00 -0.167749D+01 -0.190411D+00  0.272862D-01  0.668100D+00
               151           152           153           154           155 
      1  -0.168798D+00 -0.205118D-01 -0.537430D+00 -0.563845D+01 -0.265387D+01
      2  -0.205118D-01 -0.113504D+00  0.448407D+00 -0.265387D+01 -0.264347D+01
      3  -0.537430D+00  0.448407D+00  0.525525D+00  0.747050D+00  0.559112D+00
               156           157           158           159           160 
      1   0.747050D+00 -0.529853D+01 -0.289074D+01  0.777688D+00  0.195203D+01
      2   0.559112D+00 -0.289074D+01 -0.389648D+01  0.833556D+00  0.106983D+01
      3  -0.143925D+01  0.777688D+00  0.833556D+00 -0.122720D+01 -0.106845D+01
               161           162           163           164           165 
      1   0.106983D+01 -0.106845D+01 -0.858648D+00  0.652408D+00  0.398955D+00
      2   0.132257D+01 -0.554499D+00  0.652408D+00 -0.225487D+01 -0.237459D+00
      3  -0.554499D+00  0.608307D+00  0.398955D+00 -0.237459D+00 -0.340145D+00
               166           167           168           169           170 
      1   0.198047D+01 -0.483050D-01 -0.252581D+00  0.804266D+00 -0.120164D+00
      2  -0.483050D-01  0.927739D+01  0.870938D+00 -0.120164D+00  0.243477D+01
      3  -0.252581D+00  0.870938D+00  0.182820D+01 -0.101557D+00  0.981960D+00
               171           172           173           174           175 
      1  -0.101557D+00  0.423566D+01  0.105802D+01  0.178328D+01  0.233898D+01
      2   0.981960D+00  0.105802D+01  0.247391D+01 -0.123551D+01  0.240188D+01
      3   0.311481D+00  0.178328D+01 -0.123551D+01  0.248107D+01 -0.688818D+00
               176           177           178           179           180 
      1   0.240188D+01 -0.688818D+00  0.137164D+01 -0.803330D+00  0.433302D+01
      2   0.198310D+01  0.194018D-01 -0.803330D+00 -0.979884D+00 -0.126965D+01
      3   0.194018D-01  0.167964D+01  0.433302D+01 -0.126965D+01  0.391787D+01
               181           182           183           184           185 
      1   0.498320D+01  0.286409D+01 -0.137184D+01  0.479748D+01  0.301539D+01
      2   0.286409D+01  0.244241D+01 -0.495459D+00  0.301539D+01  0.427349D+01
      3  -0.137184D+01 -0.495459D+00  0.127172D+01 -0.781008D+00 -0.172843D+01
               186           187           188           189           190 
      1  -0.781008D+00 -0.172471D+01 -0.501833D+00  0.159509D+01  0.220099D+01
      2  -0.172843D+01 -0.501833D+00 -0.136372D+01  0.877550D+00 -0.162523D+01
      3   0.140209D+01  0.159509D+01  0.877550D+00 -0.841790D+00 -0.183169D+01
               191           192           193           194           195 
      1  -0.162523D+01 -0.183169D+01 -0.329550D+01  0.377076D+01  0.173455D+01
      2   0.179690D+01  0.825129D+00  0.377076D+01 -0.626128D+01 -0.357743D+01
      3   0.825129D+00  0.122203D+01  0.173455D+01 -0.357743D+01 -0.388083D+01
               196           197           198           199           200 
      1  -0.272274D+01  0.166534D+01  0.228149D+01 -0.153207D-01 -0.694597D+00
      2   0.166534D+01 -0.319950D+01 -0.304104D+01 -0.694597D+00  0.208705D+01
      3   0.228149D+01 -0.304104D+01 -0.411190D+01 -0.295809D+00  0.511584D+00
               201           202           203           204           205 
      1  -0.295809D+00 -0.154208D+01 -0.189364D+00  0.162696D+00 -0.802731D+00
      2   0.511584D+00 -0.189364D+00 -0.109115D+02 -0.205694D+01  0.120874D-03
      3   0.415486D+00  0.162696D+00 -0.205694D+01 -0.216518D+01  0.646046D-01
               206           207           208           209           210 
      1   0.120874D-03  0.646046D-01 -0.271551D+01 -0.109121D+01  0.192476D+00
      2  -0.499969D+01 -0.199666D+01 -0.109121D+01 -0.206037D+01  0.103846D+01
      3  -0.199666D+01 -0.107457D+01  0.192476D+00  0.103846D+01 -0.177759D+01
               211           212           213           214           215 
      1  -0.263664D+01 -0.103793D+01  0.364342D+00  0.989367D+00  0.372531D+00
      2  -0.103793D+01 -0.348873D+01  0.181764D+01  0.372531D+00  0.189488D+01
      3   0.364342D+00  0.181764D+01 -0.263735D+01 -0.418937D+00 -0.105323D+01
               216 
      1  -0.418937D+00
      2  -0.105323D+01
      3   0.244086D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.327667D-01  0.249571D+00 -0.304193D+01 -0.111492D+01  0.733127D+00
      2  -0.190636D+00 -0.350761D+00 -0.724453D+00  0.796597D+00  0.223545D+01
      3  -0.253152D+01  0.148008D+00 -0.234994D+00  0.512060D+01  0.202040D+01
                 6             7             8             9            10 
      1   0.212321D+01 -0.186840D+01  0.466566D+01 -0.970086D+01 -0.542635D+00
      2   0.138004D+01 -0.425254D+01  0.823419D+00 -0.697247D+01 -0.180724D+01
      3  -0.552421D+00  0.228523D+00 -0.245238D+01  0.585091D+00 -0.275538D+01
                11            12            13            14            15 
      1  -0.182811D+01 -0.889828D+00  0.442824D+00  0.566693D+00 -0.163694D+01
      2  -0.123946D+01  0.341701D+01 -0.468349D+00 -0.186825D+01 -0.381608D+01
      3  -0.594095D+01  0.161880D+00 -0.210769D+00  0.373922D+00  0.204614D+01
                16            17            18            19            20 
      1  -0.131675D+01  0.421306D+01 -0.177753D+01  0.256151D+00 -0.378699D+00
      2  -0.288550D+00 -0.220287D+01  0.144483D+02 -0.306558D+00  0.118958D+01
      3  -0.763560D+00  0.303081D+01  0.285342D+01  0.326980D+01 -0.802543D+00
                21            22            23            24            25 
      1   0.334140D+01 -0.126957D+00 -0.224047D+01 -0.211414D+01  0.315237D+01
      2   0.601185D+00 -0.165052D+01  0.103720D+01 -0.691192D+00 -0.445801D+01
      3  -0.635745D+00  0.473022D+01 -0.577573D+01 -0.300885D+01  0.271461D+00
                26            27            28            29            30 
      1   0.146159D+01  0.838637D+01 -0.261924D+01 -0.991732D+00  0.151199D+01
      2   0.650565D+00 -0.433018D+01 -0.746770D+01  0.394569D+01 -0.150987D+01
      3  -0.121130D+01 -0.347250D+01 -0.830011D+01 -0.997502D+01 -0.522873D+00
                31            32            33            34            35 
      1  -0.919542D+00  0.312001D+00  0.307736D+01  0.388976D+00  0.439158D+01
      2   0.264313D+01 -0.138766D+01 -0.503135D+01 -0.492929D+01 -0.616869D-01
      3  -0.790323D+01  0.164564D+01  0.393851D+01  0.422330D+00  0.362202D+01
                36            37            38            39            40 
      1  -0.522829D+00  0.168594D+01  0.996454D-01 -0.258713D+01  0.156318D+01
      2   0.146232D+02  0.429788D+01 -0.806347D+00  0.121170D+02 -0.217896D+01
      3   0.246893D+01 -0.849819D+01 -0.524840D+01  0.151509D+00  0.176293D+02
                41            42            43            44            45 
      1   0.281488D+01 -0.714509D+01  0.203562D+01  0.314013D+01  0.474791D+00
      2  -0.137824D+01  0.218116D+01 -0.610747D+01 -0.145497D+01 -0.184509D+00
      3   0.602928D+01 -0.302175D+00 -0.321821D+01 -0.164766D+01 -0.215686D+00
                46            47            48            49            50 
      1   0.823403D+00 -0.739957D+00  0.326907D+01 -0.951952D+00 -0.357028D+01
      2  -0.382895D+01 -0.146783D+01 -0.839393D+01 -0.102301D+00  0.304110D+01
      3   0.736066D+01  0.555453D+01 -0.226805D+00  0.223531D+01 -0.135536D+01
                51            52            53            54            55 
      1  -0.741529D+00  0.854181D+00  0.695986D+00  0.112983D+02 -0.123014D+01
      2   0.254927D+01 -0.689890D+01 -0.743021D+00 -0.120078D+02 -0.660174D+01
      3  -0.251364D+01  0.843724D+00 -0.167101D+01 -0.416209D+01  0.192944D+02
                56            57            58            59            60 
      1   0.367334D+00 -0.705362D+00  0.196319D+01 -0.268283D+01 -0.753429D+01
      2   0.285380D+01  0.216255D+01  0.688881D+00 -0.295205D+01 -0.174661D+01
      3  -0.365445D+01 -0.201264D+00  0.634544D+01  0.736785D+01  0.104721D+01
                61            62            63            64            65 
      1   0.914583D+00  0.112451D+01 -0.311451D+01  0.132765D+01  0.404140D+00
      2  -0.399164D+01 -0.185034D+01 -0.146776D+01  0.997860D+00 -0.483813D+00
      3   0.349491D+01  0.324595D+01  0.953962D+00 -0.166351D+00 -0.203368D+01
                66            67            68            69            70 
      1   0.100107D+01  0.711577D-01  0.141186D+01 -0.170300D+01  0.113341D+01
      2   0.227834D+01  0.284156D-01  0.439522D+00 -0.352436D+00 -0.354446D+01
      3  -0.116447D+01  0.890500D+00 -0.290758D+00 -0.838514D+00 -0.301126D+01
                71            72            73            74            75 
      1   0.367995D+01  0.107832D+02  0.662055D+00 -0.173113D+00  0.827601D+00
      2  -0.615445D+00  0.763208D+01  0.467998D+01  0.285020D+01  0.504240D+01
      3  -0.183137D+01 -0.211047D+00  0.113779D+02 -0.287540D+01 -0.289237D+01
                76            77            78            79            80 
      1  -0.155517D+01  0.109098D+01 -0.231191D+01  0.983942D+00  0.329360D+01
      2   0.242105D+01  0.334838D+01 -0.402785D+01 -0.248216D+01 -0.156960D+01
      3   0.879555D+01  0.182200D+02 -0.310623D+01 -0.249814D+01 -0.641730D+01
                81            82            83            84            85 
      1  -0.267274D-01  0.279228D+00  0.978539D+00  0.310009D+00  0.504665D+00
      2   0.217270D+01 -0.302175D+01  0.144049D+00 -0.135113D+01  0.689597D+00
      3   0.121393D+01  0.104724D+00 -0.828104D-01 -0.283652D+00  0.206619D+01
                86            87            88            89            90 
      1  -0.364100D+00 -0.180840D+01  0.233087D+00  0.413263D+01  0.124288D+01
      2  -0.175336D+01  0.176508D+01 -0.559705D+01  0.117334D+01 -0.142251D+02
      3  -0.774254D+00  0.153464D+01 -0.502842D+00  0.242796D+01 -0.783130D+00
                91            92            93            94            95 
      1  -0.204203D+01  0.979453D+00 -0.136816D+01  0.486118D+00 -0.147565D+01
      2   0.135619D+00  0.546838D+00  0.917665D+00  0.108568D+01  0.219573D-01
      3   0.127233D+01 -0.237209D+01  0.149961D+01  0.259918D+00  0.106761D+01
                96            97            98            99           100 
      1  -0.257842D+00 -0.221616D+01  0.456055D+01 -0.931583D+01  0.224482D+01
      2   0.250680D+00 -0.408735D+01  0.289499D+00  0.499372D+01 -0.204624D+00
      3  -0.642964D+00  0.279160D+01 -0.214886D+01  0.159934D+01  0.883903D+01
               101           102           103           104           105 
      1  -0.233526D+01 -0.430875D+01 -0.878671D+00  0.822981D+01 -0.171025D+01
      2  -0.380899D+00  0.551124D+01  0.135188D+01 -0.136852D+01  0.143777D+01
      3  -0.110169D+02 -0.243331D+01  0.163293D+00  0.111164D+02  0.350761D+01
               106           107           108           109           110 
      1  -0.278428D+01  0.550264D+01  0.371653D+01  0.381528D+01  0.136505D+01
      2  -0.191914D+01  0.863621D+00 -0.175435D+01  0.108161D+02 -0.402893D+01
      3  -0.555184D+01  0.578210D+01  0.209861D+01  0.793358D+01  0.971530D+01
               111           112           113           114           115 
      1  -0.115917D+01  0.189541D+01  0.234248D+01 -0.364537D+01 -0.159757D+01
      2   0.874302D+00 -0.474421D+01  0.108348D+02  0.800271D+01 -0.967780D+01
      3  -0.342247D+00  0.214213D+02 -0.264010D+00 -0.122933D+02  0.862823D+00
               116           117           118           119           120 
      1  -0.341536D+01 -0.297075D+01 -0.283542D-01  0.117900D+01  0.408642D+00
      2   0.835217D+01 -0.491741D+01 -0.278893D+01 -0.322053D+00 -0.246443D+00
      3  -0.118756D+02 -0.697861D+01  0.257889D+00  0.911236D-01  0.333736D+00
               121           122           123           124           125 
      1   0.235449D+00 -0.152987D+01 -0.243285D+00  0.248050D+00  0.534768D+01
      2  -0.613616D-01 -0.234416D+01  0.115540D+01 -0.620488D+01  0.627620D+00
      3   0.267771D+01 -0.182595D+01  0.189779D+01  0.635114D+00  0.270151D+01
               126           127           128           129           130 
      1  -0.141147D+01  0.161039D+01 -0.496906D+00 -0.374530D+01  0.862855D+00
      2  -0.148191D+02 -0.270170D+01 -0.246314D+00  0.545917D+01  0.660242D+00
      3  -0.218479D+01  0.583470D+01 -0.824327D+01 -0.259760D+01  0.438173D+01
               131           132           133           134           135 
      1   0.124457D+02 -0.239383D+01 -0.191159D+01  0.649495D+01  0.565572D+01
      2  -0.486041D+01  0.215121D+00 -0.817530D+00  0.241940D+00 -0.261879D+01
      3   0.994251D+01  0.508959D+01 -0.628147D+01  0.959597D+01  0.324066D+01
               136           137           138           139           140 
      1  -0.210445D+01  0.171654D+00 -0.130372D+01  0.695968D+00 -0.167842D+01
      2   0.137043D+01  0.581011D+00  0.208258D+01  0.753294D+00  0.759679D+00
      3   0.101544D+01 -0.208651D+01  0.204166D+01  0.526219D-01  0.179925D+01
               141           142           143           144           145 
      1   0.506367D+00 -0.123763D+01  0.566715D+01 -0.109026D+02 -0.205733D+00
      2  -0.137986D+01 -0.374357D+01 -0.134581D+00  0.112362D+02  0.537565D+01
      3  -0.117250D+01  0.368232D+01 -0.198305D+01  0.306422D+01 -0.212807D+02
               146           147           148           149           150 
      1  -0.394129D+00  0.377977D+01  0.414421D-01  0.194706D+00 -0.111221D+01
      2  -0.118654D+01  0.339970D+01 -0.813943D+00  0.688192D+00 -0.105408D+01
      3  -0.168892D+00  0.826944D+00  0.214841D+01 -0.230280D+01 -0.721888D+00
               151           152           153           154           155 
      1   0.122706D+01 -0.286154D+00 -0.839502D+00  0.557833D-01  0.822399D-01
      2   0.440206D+00 -0.712510D+00 -0.405957D+00 -0.237095D+01 -0.186576D+01
      3  -0.925567D+00 -0.533893D+00 -0.593834D+00 -0.843393D+01 -0.942342D+01
               156           157           158           159           160 
      1  -0.901393D+00  0.460416D+00 -0.869656D+00 -0.107411D+01 -0.270424D+00
      2   0.457573D+01 -0.267636D+01 -0.288128D+01  0.457333D+01  0.235413D+01
      3   0.197074D+01 -0.842730D+01 -0.158031D+02  0.280597D+01  0.340228D+01
               161           162           163           164           165 
      1   0.719803D+00  0.395857D+00 -0.173657D+01  0.245676D+01  0.183818D+01
      2   0.182318D+01 -0.164694D+01  0.268176D+00 -0.104870D+00 -0.625770D+00
      3   0.472898D+01 -0.169358D+01 -0.557547D+01  0.570241D+01  0.203480D+01
               166           167           168           169           170 
      1   0.124768D+01 -0.779735D+01 -0.616796D+01  0.682097D+00 -0.323384D+01
      2  -0.352687D-01  0.809799D+00  0.150339D+01 -0.100799D+01  0.103489D+01
      3   0.732889D+01 -0.157065D+02 -0.252469D+01  0.338863D+01 -0.460528D+01
               171           172           173           174           175 
      1  -0.174434D+01  0.294706D+01  0.333177D+01  0.204865D+01  0.145107D+01
      2   0.478124D+00 -0.520072D+00 -0.648910D+01  0.135624D+02 -0.516090D+01
      3  -0.194332D+01 -0.912103D+01 -0.117732D+02  0.289888D+01 -0.744057D+01
               176           177           178           179           180 
      1   0.386978D+01 -0.426141D+01  0.578753D+00  0.556492D+01  0.565101D+01
      2  -0.259256D+01  0.450685D+01  0.504233D+01 -0.810137D+00  0.141516D+02
      3  -0.671785D+01  0.496468D+00  0.176926D+01  0.164699D+01  0.202345D+00
               181           182           183           184           185 
      1  -0.242020D+01 -0.194043D+01 -0.514383D+00 -0.218017D+01 -0.378454D+01
      2  -0.917462D+00  0.140902D-01  0.457592D+01  0.119587D+01 -0.339635D+01
      3  -0.940578D+01 -0.100369D+02  0.216702D+01 -0.857469D+01 -0.164200D+02
               186           187           188           189           190 
      1  -0.895176D-01  0.470735D+00  0.265761D+01 -0.695217D+00  0.557433D-01
      2   0.487938D+01  0.211357D+01  0.229400D+01 -0.128493D+01 -0.349580D+01
      3   0.541580D+01  0.178217D+01  0.457434D+01 -0.315896D+01  0.252116D+01
               191           192           193           194           195 
      1  -0.124522D+01  0.104748D+01 -0.146942D+01  0.336972D+01 -0.296154D+01
      2   0.157988D+01  0.340756D+01  0.122559D+01 -0.732389D+01 -0.110881D+02
      3  -0.553598D+01 -0.129571D+01 -0.505782D+01  0.153891D+02  0.843669D+01
               196           197           198           199           200 
      1   0.485075D+00  0.182433D+01 -0.169517D+01 -0.318355D+00  0.210204D+01
      2   0.225941D+01 -0.731868D+01 -0.103914D+02  0.875125D+00 -0.454978D+00
      3  -0.173449D+01  0.795791D+01  0.689143D+01 -0.237832D+01  0.426700D+01
               201           202           203           204           205 
      1   0.184929D+01  0.530361D+00 -0.779260D+01 -0.704780D+01  0.322619D+00
      2  -0.351619D+00 -0.810755D+00  0.284492D+01  0.270798D+01 -0.972309D+00
      3   0.162393D+01  0.528494D+01 -0.170608D+02 -0.407856D+01  0.279987D+01
               206           207           208           209           210 
      1  -0.590006D+01 -0.361415D+01 -0.254856D+01 -0.324363D+01 -0.708040D+00
      2   0.267007D+01  0.135129D+01  0.660310D+01  0.553080D+01 -0.599477D+01
      3  -0.791975D+01 -0.354663D+01  0.856192D+01  0.725893D+01 -0.269020D+01
               211           212           213           214           215 
      1  -0.245083D+01 -0.340425D+01 -0.533291D+00  0.295517D+00  0.223018D+01
      2   0.516270D+01  0.804573D+01 -0.792060D+01 -0.336951D+01 -0.417072D+01
      3   0.822297D+01  0.101254D+02 -0.526555D+01 -0.188762D+01 -0.501705D+01
               216 
      1   0.537446D+00
      2   0.674452D+01
      3   0.377224D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.773631D+01 -0.756948D+01 -0.110771D+01 -0.482083D+01  0.891789D+01
      2  -0.336249D+01  0.121060D+02  0.115355D+00  0.826757D+01 -0.193337D+02
      3  -0.437383D+01 -0.453648D+01  0.992358D+00 -0.344674D+01  0.104158D+02
      4  -0.120016D+01 -0.790894D+01 -0.239606D+00 -0.120912D+02  0.108463D+02
      5   0.206330D+01 -0.215198D+01 -0.545640D+01 -0.489989D+01  0.164918D+01
      6   0.149439D+01  0.326839D+01  0.748112D+01  0.325305D+01 -0.918666D+01
                 6             7             8             9            10 
      1   0.463428D+01  0.150131D+01  0.494255D+01  0.860816D+01 -0.361138D+02
      2  -0.160228D+01  0.379978D+01 -0.139864D+02  0.542515D+01  0.200160D+02
      3  -0.303201D+01 -0.530109D+01  0.904388D+01 -0.140333D+02  0.160978D+02
      4   0.257573D+01 -0.225667D+01  0.739842D+01  0.809904D+01  0.513516D+01
      5   0.394921D+01 -0.463161D+01  0.494523D+01 -0.221440D+02 -0.135061D+01
      6  -0.113683D+02  0.671378D+01 -0.721186D+01  0.275233D+02 -0.617826D+00
                11            12            13            14            15 
      1  -0.139514D+01  0.365116D+01  0.274681D+01  0.975680D+01 -0.484447D+00
      2   0.414272D+01  0.237593D+01 -0.154928D+01 -0.274712D+01 -0.957393D+00
      3  -0.274758D+01 -0.602709D+01 -0.119753D+01 -0.700968D+01  0.144184D+01
      4  -0.591605D+00 -0.320909D+00  0.880403D+01  0.470414D+00 -0.273124D+01
      5  -0.799716D+00 -0.280160D+00  0.100638D+01 -0.165175D+01 -0.715599D+01
      6   0.120839D+00  0.273137D+01 -0.129918D+01 -0.989049D-01 -0.882294D+00
                16            17            18            19            20 
      1  -0.528200D+01  0.193378D+01  0.187386D+02 -0.406633D+01  0.598158D+01
      2   0.359561D+01 -0.582434D+01  0.473647D+01  0.134491D+01 -0.122427D+02
      3   0.168639D+01  0.389056D+01 -0.234751D+02  0.272141D+01  0.626115D+01
      4   0.290171D+01 -0.358019D+01 -0.397468D+01 -0.327551D+01 -0.103235D+02
      5   0.716023D+01 -0.434630D+01  0.305019D+02  0.106101D+01  0.412200D+01
      6   0.907178D+00 -0.150637D+00  0.712583D+01 -0.182510D+00  0.434540D+01
                21            22            23            24            25 
      1  -0.251952D+01  0.218606D+01 -0.268717D+01 -0.489109D+01  0.292519D+01
      2   0.341284D+00 -0.861763D+01 -0.211980D+01  0.326476D+01  0.425377D+01
      3   0.217824D+01  0.643157D+01  0.480697D+01  0.162634D+01 -0.717895D+01
      4   0.164404D+01 -0.164107D+02 -0.867494D+01  0.215441D+01  0.478443D+01
      5  -0.654239D+01  0.234780D+01  0.461557D+01 -0.686659D+00 -0.330144D+01
      6  -0.810836D+01  0.346638D+01  0.656867D+01 -0.384511D+01 -0.507057D+01
                26            27            28            29            30 
      1  -0.126704D+01  0.418475D+00 -0.199753D+02  0.100514D+02 -0.149995D+01
      2   0.647345D+01  0.901808D+01  0.969390D+01 -0.112727D+02  0.104026D+01
      3  -0.520641D+01 -0.943655D+01  0.102814D+02  0.122126D+01  0.459687D+00
      4   0.787365D+01 -0.216476D+01 -0.205037D+01 -0.277861D+01 -0.819229D+00
      5   0.762030D+00 -0.141138D+02 -0.166286D+01 -0.157894D+01 -0.430145D+01
      6   0.524080D+00 -0.215686D+02 -0.292743D+00 -0.252256D+01 -0.179853D+01
                31            32            33            34            35 
      1   0.451216D+01  0.163651D+02 -0.446289D+01 -0.689518D+01 -0.956491D+00
      2  -0.319909D+01 -0.163607D+02 -0.498970D+01  0.257507D+01 -0.134734D+01
      3  -0.131307D+01 -0.440416D-02  0.945259D+01  0.432011D+01  0.230383D+01
      4  -0.468084D+01 -0.101648D+02 -0.637859D+01  0.512031D+01 -0.296717D+01
      5   0.221201D+01 -0.920691D+01 -0.111897D+02  0.173897D+00 -0.372125D+01
      6  -0.520450D+01  0.411571D+01 -0.414693D+01 -0.213686D+01  0.961442D+00
                36            37            38            39            40 
      1   0.229805D+02  0.183712D+02 -0.241109D+01  0.206319D+01 -0.109493D+01
      2   0.174512D+02 -0.110325D+02  0.246512D+01 -0.178992D+01  0.218940D+01
      3  -0.404317D+02 -0.733876D+01 -0.540313D-01 -0.273265D+00 -0.109447D+01
      4  -0.416673D+01 -0.861691D+01  0.197719D+02  0.333725D+00  0.176364D+02
      5   0.262066D+02  0.242160D+01  0.764296D+00  0.237435D+02 -0.217143D+01
      6   0.147606D+01  0.192700D+01  0.313861D+00  0.699594D+01  0.145373D+01
                41            42            43            44            45 
      1  -0.171512D+02  0.418953D+01  0.404371D+01  0.287314D+01 -0.767931D+01
      2   0.243190D+02  0.241717D+01 -0.493126D+01 -0.344493D+01 -0.580950D+01
      3  -0.716785D+01 -0.660670D+01  0.887555D+00  0.571790D+00  0.134888D+02
      4   0.157647D+00  0.902907D+00 -0.618451D+01 -0.764165D+00 -0.190018D+01
      5   0.202986D+01  0.386164D+01  0.745044D+01 -0.156798D+01  0.132140D+01
      6  -0.645699D+00  0.960112D+01 -0.124008D+01  0.703295D+01  0.690090D+00
                46            47            48            49            50 
      1  -0.160385D+02  0.474253D+01  0.239555D+01 -0.396707D+01 -0.214672D+01
      2   0.130506D+02 -0.712953D+01  0.188253D+01 -0.552924D+01 -0.686795D+01
      3   0.298788D+01  0.238699D+01 -0.427808D+01  0.949631D+01  0.901467D+01
      4   0.592760D+01 -0.206042D+02 -0.250868D+01 -0.208505D+02 -0.119655D+02
      5   0.930088D+00 -0.344065D+00 -0.233936D+02  0.277082D+01  0.217844D+01
      6  -0.124741D+01  0.211013D+01 -0.109870D+02  0.287099D+00  0.692945D+01
                51            52            53            54            55 
      1  -0.561424D+01  0.552214D+01 -0.493146D+01  0.793116D+01 -0.164294D+02
      2  -0.124709D+01  0.419934D+01  0.788614D+01  0.215112D+02  0.678789D+01
      3   0.686133D+01 -0.972148D+01 -0.295469D+01 -0.294423D+02  0.964152D+01
      4   0.288083D+01  0.185772D+01  0.593468D+01 -0.122494D+01  0.258016D+02
      5   0.419628D+01 -0.950529D+01  0.499039D+00 -0.282450D+02  0.106649D+01
      6  -0.472277D+01 -0.509781D+01  0.750488D+00 -0.258019D+02  0.292916D+01
                56            57            58            59            60 
      1   0.377667D+01 -0.703653D+00  0.403697D+01 -0.303797D+02 -0.913996D+01
      2  -0.214308D+01  0.225430D+01 -0.764579D+01  0.504823D+02  0.605674D+01
      3  -0.163360D+01 -0.155064D+01  0.360882D+01 -0.201026D+02  0.308322D+01
      4   0.305525D+01  0.132905D+01  0.133646D+02 -0.243167D+02 -0.568743D+01
      5  -0.376307D+00  0.536392D+01  0.281164D+01 -0.420450D+01 -0.210290D+01
      6  -0.695245D+00  0.410519D+00 -0.303982D+01  0.150627D+02  0.157737D+02
                61            62            63            64            65 
      1  -0.136662D+01 -0.112490D+02 -0.115241D+02  0.138087D+01  0.935120D+00
      2  -0.133047D+01  0.159049D+02  0.210186D+01 -0.373366D+01 -0.188087D+01
      3   0.269709D+01 -0.465592D+01  0.942220D+01  0.235278D+01  0.945747D+00
      4   0.775169D+01 -0.106372D+02 -0.691364D+01 -0.169179D+01  0.439876D+01
      5   0.773179D+01 -0.622429D+01 -0.348750D+01  0.485996D+01 -0.129740D+01
      6  -0.471008D+01  0.187964D+02  0.815564D+01 -0.401858D+01  0.404818D+00
                66            67            68            69            70 
      1   0.206950D+01  0.112993D+01 -0.433655D+01  0.345771D+01  0.170768D+01
      2  -0.311963D+01 -0.186229D+01  0.345785D+01 -0.299209D+01 -0.326283D+01
      3   0.105014D+01  0.732358D+00  0.878700D+00 -0.465613D+00  0.155515D+01
      4  -0.364509D+01  0.376842D+01 -0.314530D+01  0.288992D+01 -0.566028D+01
      5   0.101211D+02 -0.143947D+00  0.273618D+01 -0.178904D+01  0.803965D+01
      6  -0.275208D+01  0.111658D+01 -0.436608D+01  0.947548D+01 -0.435773D+01
                71            72            73            74            75 
      1   0.514342D+01 -0.150638D+02  0.575365D+02 -0.170940D+02  0.211459D+01
      2  -0.421848D+01 -0.139508D+02 -0.348289D+02  0.815646D+01 -0.238653D+01
      3  -0.924941D+00  0.290146D+02 -0.227076D+02  0.893754D+01  0.271943D+00
      4   0.487827D+01 -0.498266D+01 -0.207110D+02  0.380023D+01  0.410519D+01
      5  -0.317226D+01  0.218907D+02  0.586768D+01  0.525720D+01  0.108632D+02
      6   0.867613D+01 -0.280091D+02  0.727783D+00  0.428225D+00 -0.208473D+01
                76            77            78            79            80 
      1  -0.346736D+02 -0.101320D+02  0.443889D+01  0.185128D+02  0.450732D+01
      2   0.188544D+02  0.930077D+01 -0.225628D+01 -0.102441D+02 -0.196144D+01
      3   0.158192D+02  0.831227D+00 -0.218261D+01 -0.826867D+01 -0.254588D+01
      4  -0.208165D+01 -0.244529D+02  0.715742D+01  0.420563D+01  0.914894D+01
      5   0.574610D+01  0.820948D+01 -0.631098D+01  0.127031D+02 -0.322220D+01
      6   0.210139D+01  0.221948D+01  0.556011D+01 -0.103845D+01  0.360327D+01
                81            82            83            84            85 
      1   0.128472D+01  0.742083D+00  0.167518D+00 -0.646714D+01  0.886224D+00
      2  -0.770667D+01 -0.383388D+01  0.105025D+00  0.533817D+00 -0.450469D+00
      3   0.642195D+01  0.309180D+01 -0.272543D+00  0.593332D+01 -0.435755D+00
      4  -0.301141D+01 -0.372419D+00  0.284165D+00 -0.231873D+00  0.300788D+00
      5   0.300228D+01 -0.199618D+01 -0.304470D+00  0.349775D+01 -0.195340D+00
      6   0.581241D+00 -0.850085D+00  0.648937D+00 -0.860660D+00  0.379859D+00
                86            87            88            89            90 
      1  -0.578434D+01  0.240153D+01 -0.923176D+01  0.216600D+01 -0.220734D+02
      2   0.111150D+01  0.170161D-01  0.371336D+01  0.718044D+00 -0.167068D+02
      3   0.467284D+01 -0.241854D+01  0.551841D+01 -0.288405D+01  0.387802D+02
      4   0.166049D+01 -0.248062D+01 -0.103309D+01 -0.453466D+01  0.220098D+01
      5  -0.283559D+01  0.294185D+01  0.445623D+01  0.281439D+01 -0.260795D+02
      6  -0.204627D+01  0.911108D+01 -0.303203D+00  0.544758D+01 -0.622724D+01
                91            92            93            94            95 
      1   0.274633D+01 -0.249888D+01  0.218290D+01 -0.206317D+01 -0.678100D+00
      2  -0.423346D+01  0.337368D+01 -0.194926D+01  0.265059D+01 -0.115526D+01
      3   0.148713D+01 -0.874799D+00 -0.233644D+00 -0.587420D+00  0.183336D+01
      4   0.375870D+00  0.382465D+01  0.125777D+01  0.423699D+01  0.707583D+00
      5   0.416257D+01 -0.957107D+00  0.746922D+01 -0.353847D+00  0.240915D+01
      6   0.226090D+01 -0.578496D-01  0.237594D+01  0.580075D+00  0.133125D+01
                96            97            98            99           100 
      1  -0.155033D+01  0.212153D+01 -0.348444D+01 -0.113771D+02  0.148969D+02
      2   0.212002D+01 -0.437409D+01  0.569177D+01 -0.159717D+02 -0.317107D+01
      3  -0.569689D+00  0.225256D+01 -0.220732D+01  0.273488D+02 -0.117258D+02
      4   0.277537D+01  0.311277D+01  0.399937D+01  0.132944D+01  0.230197D+02
      5   0.204697D+00  0.741274D+01 -0.517666D+00  0.167716D+02 -0.485767D+01
      6   0.532558D+01  0.290856D+01  0.399427D+01  0.187343D+02 -0.659407D+01
               101           102           103           104           105 
      1  -0.983279D+01 -0.541400D+00 -0.329507D+01  0.942753D+01  0.818815D+01
      2   0.233684D+02  0.332885D+01  0.135338D+02 -0.888872D+01 -0.998490D+01
      3  -0.135356D+02 -0.278745D+01 -0.102387D+02 -0.538812D+00  0.179676D+01
      4   0.263973D+02 -0.454892D+01  0.238459D+02  0.149780D+02 -0.481141D+01
      5  -0.150698D+01  0.115865D+02 -0.138928D+01 -0.861464D+01  0.170121D+01
      6  -0.343289D+01  0.761977D+01 -0.288550D+01 -0.131035D+02  0.898290D+01
               106           107           108           109           110 
      1  -0.320353D+01  0.129081D+02 -0.356004D+01  0.114429D+02 -0.183169D+02
      2   0.872686D+00 -0.202124D+02 -0.389382D+01 -0.836265D+01  0.139154D+02
      3   0.233084D+01  0.730428D+01  0.745386D+01 -0.308029D+01  0.440149D+01
      4  -0.934126D+01 -0.120187D+02  0.709682D+01 -0.149928D+02 -0.185160D+02
      5   0.102343D+02  0.395380D+01 -0.409963D+01  0.945071D+01  0.583089D-01
      6   0.876866D+01  0.117037D+02 -0.849369D+01 -0.201461D+01  0.652146D+01
               111           112           113           114           115 
      1   0.100124D+02 -0.192525D+02 -0.248339D+02  0.345107D+01  0.107562D+02
      2  -0.151022D+01  0.139804D+02  0.842311D+01 -0.871545D+01 -0.386186D+01
      3  -0.850220D+01  0.527213D+01  0.164108D+02  0.526439D+01 -0.689435D+01
      4  -0.232558D+01 -0.319044D+02  0.953997D+01  0.283407D+02 -0.187523D+01
      5  -0.100945D+02 -0.387691D+00  0.322767D+02  0.189141D+02 -0.374599D+02
      6   0.394677D+01  0.112689D+02 -0.111642D+02 -0.124305D+02  0.112419D+02
               116           117           118           119           120 
      1   0.439766D+01 -0.145873D+02  0.176791D+01 -0.267133D+00 -0.518356D+01
      2  -0.356286D+01  0.840636D+01 -0.518292D+01  0.225672D+00  0.127841D+01
      3  -0.834799D+00  0.618095D+01  0.341501D+01  0.414614D-01  0.390515D+01
      4   0.223940D+02  0.223761D+02 -0.263018D+00  0.174379D+01  0.110744D+01
      5   0.217289D+02 -0.367419D+01 -0.384593D+01 -0.690953D-01  0.706975D+01
      6  -0.223172D+02 -0.558886D+01  0.513384D+00  0.903692D+00 -0.336041D+00
               121           122           123           124           125 
      1  -0.183048D-01 -0.628707D+01  0.865258D+00 -0.507821D+01  0.164800D+01
      2  -0.528396D+00  0.120913D+01  0.190755D+01  0.610701D+01  0.118853D+01
      3   0.546701D+00  0.507794D+01 -0.277281D+01 -0.102880D+01 -0.283654D+01
      4   0.171682D+01  0.196087D+01 -0.215563D+01  0.112523D+01 -0.298092D+01
      5  -0.732799D+00 -0.295433D+01  0.303997D+01  0.873703D+01  0.186696D+01
      6   0.316603D+00 -0.548397D+00  0.898417D+01  0.829631D+00  0.641598D+01
               126           127           128           129           130 
      1  -0.265866D+02  0.138733D+02 -0.706360D+01 -0.304544D+01  0.180791D+00
      2  -0.235144D+02 -0.631730D-01  0.205704D+02  0.448848D+01  0.112465D+02
      3   0.501010D+02 -0.138101D+02 -0.135068D+02 -0.144303D+01 -0.114272D+02
      4   0.203452D+01  0.199678D+02  0.275859D+02 -0.353269D+01  0.243710D+02
      5  -0.261460D+02 -0.264324D+01  0.824533D+00  0.101341D+02 -0.784965D+00
      6   0.230986D+01 -0.392619D+01  0.148428D+01  0.721629D+01  0.633543D+00
               131           132           133           134           135 
      1   0.127651D+02  0.126029D+02 -0.621285D+01  0.193748D+02 -0.626545D+00
      2  -0.109398D+02 -0.155473D+02  0.120189D+01 -0.331714D+02 -0.806526D+01
      3  -0.182523D+01  0.294432D+01  0.501096D+01  0.137966D+02  0.869181D+01
      4   0.141323D+02 -0.600031D+01 -0.104100D+02 -0.174891D+02  0.452134D+01
      5  -0.787631D+01 -0.140831D-01  0.917341D+01  0.820187D+00 -0.378081D+01
      6  -0.222576D+02  0.577824D+01  0.688056D+01  0.518746D+01 -0.104153D+02
               136           137           138           139           140 
      1   0.223019D+01 -0.441228D+00  0.238316D+01 -0.148033D+01 -0.252916D+01
      2  -0.581949D+01  0.590024D+00 -0.333237D+01  0.254495D+01 -0.444384D+00
      3   0.358930D+01 -0.148796D+00  0.949211D+00 -0.106462D+01  0.297354D+01
      4   0.155550D+01  0.415726D+01  0.376619D+01  0.413402D+01  0.454114D+00
      5   0.646265D+01  0.805026D+00  0.123240D+02 -0.847383D+00  0.309899D+01
      6   0.400254D+01  0.957159D+00  0.341819D+01  0.886729D+00  0.194814D+01
               141           142           143           144           145 
      1  -0.105443D+01  0.741095D+00 -0.265064D+01 -0.179334D+02  0.263901D+02
      2   0.424843D+01 -0.532864D+01  0.415732D+01 -0.233832D+02 -0.475307D+01
      3  -0.319400D+01  0.458755D+01 -0.150668D+01  0.413166D+02 -0.216370D+02
      4   0.241065D+01  0.648600D+01  0.620892D+01  0.277825D+01 -0.418645D+02
      5  -0.319028D+01  0.123661D+02  0.194945D+01  0.272053D+02 -0.695162D+01
      6   0.590074D+01  0.514773D+01  0.694813D+01  0.247711D+02  0.215665D+01
               146           147           148           149           150 
      1  -0.204509D+01  0.130260D+00 -0.273483D+01  0.173733D+01  0.278466D+00
      2  -0.972203D+01  0.342349D-01 -0.290238D+01  0.399170D+01 -0.545711D+00
      3   0.117671D+02 -0.164494D+00  0.563722D+01 -0.572903D+01  0.267245D+00
      4   0.224920D+02  0.366179D+01  0.122123D+02 -0.764926D+01 -0.878598D+00
      5   0.317290D+01  0.545888D+01  0.164350D+01 -0.607879D+00 -0.241299D+01
      6  -0.319373D+01 -0.674226D+01 -0.148984D+01  0.701472D+00  0.184500D+01
               151           152           153           154           155 
      1   0.122440D+01 -0.845085D-01  0.871055D+00  0.345473D+02  0.163991D+02
      2  -0.346419D+00 -0.303311D+00 -0.256264D+00 -0.175673D+02 -0.818869D+01
      3  -0.877985D+00  0.387820D+00 -0.614791D+00 -0.169800D+02 -0.821045D+01
      4  -0.748249D+00  0.225785D+00 -0.310508D+01  0.167482D+02  0.164208D+02
      5   0.416929D+01 -0.173617D+01 -0.107547D+01 -0.612620D+01 -0.395295D+01
      6  -0.294019D+01  0.281253D+01  0.219080D+01 -0.121565D+01 -0.847783D+00
               156           157           158           159           160 
      1  -0.523734D+01  0.309982D+02  0.154742D+02 -0.455768D+01 -0.100585D+02
      2   0.244624D+01 -0.160236D+02 -0.548034D+01  0.243591D+01  0.598681D+01
      3   0.279110D+01 -0.149746D+02 -0.999384D+01  0.212178D+01  0.407174D+01
      4  -0.338202D+01  0.197706D+02  0.227958D+02 -0.559231D+01 -0.615126D+01
      5   0.825816D+01 -0.640978D+01 -0.617074D+01  0.762121D+01  0.786339D+01
      6   0.115752D+01 -0.178167D+01 -0.182076D+01  0.118248D+01  0.150103D+01
               161           162           163           164           165 
      1  -0.555098D+01  0.538628D+01 -0.260252D+01  0.867491D+01  0.807142D+00
      2   0.311193D+01 -0.329702D+01  0.396523D+01 -0.132887D+02 -0.216664D+01
      3   0.243906D+01 -0.208926D+01 -0.136271D+01  0.461384D+01  0.135950D+01
      4  -0.718077D+01  0.367432D+01 -0.260541D+01 -0.619943D+00  0.135900D+01
      5   0.442887D+01 -0.390266D+01  0.389228D+00 -0.121835D+01 -0.164775D+01
      6   0.229004D+01 -0.159544D+01  0.166572D+01 -0.349753D+00 -0.167244D+01
               166           167           168           169           170 
      1   0.495685D+01 -0.304043D+02 -0.263807D+01  0.156279D+01 -0.817767D+01
      2  -0.405781D+01  0.533450D+02  0.686735D+01 -0.130292D+01  0.135407D+02
      3  -0.899045D+00 -0.229407D+02 -0.422928D+01 -0.259867D+00 -0.536301D+01
      4   0.727070D+01  0.145116D+02  0.115950D+01  0.219556D+01  0.399318D+01
      5  -0.143382D+01  0.374507D+01  0.343856D+01  0.438303D+00  0.248798D+01
      6  -0.847352D+00  0.127155D+01  0.785029D+01 -0.823104D+00  0.597803D+01
               171           172           173           174           175 
      1  -0.397623D+01  0.342369D+02  0.111041D+02  0.313568D+01  0.156591D+02
      2   0.524418D+01 -0.207201D+02 -0.952432D+01 -0.611785D+01 -0.121073D+02
      3  -0.126795D+01 -0.135169D+02 -0.157976D+01  0.298217D+01 -0.355187D+01
      4   0.108898D+01 -0.423259D+01  0.168680D+02 -0.728226D+01  0.155760D+02
      5   0.527960D+00  0.169651D+02 -0.405395D+01  0.221894D+02 -0.252505D+01
      6   0.223638D+01 -0.338889D+00  0.903910D+01 -0.772784D+01  0.641266D+01
               176           177           178           179           180 
      1   0.157588D+02 -0.559851D+01  0.713261D+01 -0.912527D+01  0.821900D+01
      2  -0.622213D+01  0.330867D+01 -0.744023D+01  0.327436D+01 -0.226818D+02
      3  -0.953665D+01  0.228984D+01  0.307615D+00  0.585091D+01  0.144628D+02
      4   0.288701D+01  0.282907D+01 -0.866253D+01  0.107931D+00 -0.114750D+02
      5   0.447653D+01  0.427818D+01  0.359711D+02 -0.105622D+02  0.297761D+02
      6   0.410801D+01  0.216770D+01 -0.109039D+02  0.137348D+02 -0.292721D+01
               181           182           183           184           185 
      1   0.366748D+02  0.191541D+02 -0.813588D+01  0.308917D+02  0.165266D+02
      2  -0.198886D+02 -0.102499D+02  0.493550D+01 -0.173848D+02 -0.611510D+01
      3  -0.167863D+02 -0.890416D+01  0.320037D+01 -0.135069D+02 -0.104115D+02
      4   0.174396D+02  0.165853D+02 -0.329322D+01  0.193330D+02  0.244386D+02
      5  -0.122417D+02 -0.566384D+01  0.112850D+02 -0.911926D+01 -0.125496D+02
      6  -0.145336D+01 -0.307267D+01  0.430775D+00 -0.342402D+01 -0.281825D+01
               186           187           188           189           190 
      1  -0.542013D+01 -0.899571D+01 -0.293923D+01  0.696047D+01  0.137061D+02
      2   0.468559D+01  0.620617D+01  0.300869D+01 -0.609514D+01 -0.470892D+01
      3   0.734540D+00  0.278954D+01 -0.694595D-01 -0.865331D+00 -0.899716D+01
      4  -0.102593D+02 -0.343830D+01 -0.779457D+01  0.523489D+01 -0.140373D+02
      5   0.101359D+02  0.137770D+02  0.710184D+01 -0.669694D+01 -0.139271D+02
      6   0.324033D+01  0.894875D+00  0.472965D+01 -0.237400D+01  0.631913D+01
               191           192           193           194           195 
      1  -0.790308D+01 -0.929252D+01 -0.132743D+02  0.483129D+01  0.266798D+00
      2   0.139443D+01  0.451977D+01  0.219233D+01  0.100610D+02  0.352150D+01
      3   0.650865D+01  0.477275D+01  0.110819D+02 -0.148923D+02 -0.378830D+01
      4   0.163547D+02  0.829416D+01  0.276650D+02 -0.377694D+02 -0.218058D+02
      5   0.773631D+01  0.123478D+02  0.145001D+02 -0.232008D+02 -0.251378D+02
      6  -0.497313D+01 -0.490568D+01 -0.946245D+01  0.185344D+02  0.170017D+02
               196           197           198           199           200 
      1  -0.107405D+02  0.741531D-01  0.159397D+01 -0.165719D+01  0.981904D+01
      2   0.588149D+01  0.182435D+01 -0.341599D+01  0.356879D+01 -0.140774D+02
      3   0.485903D+01 -0.189850D+01  0.182202D+01 -0.191159D+01  0.425840D+01
      4   0.124891D+02 -0.184966D+02 -0.183893D+02  0.551648D+00  0.214972D+01
      5   0.189219D+02 -0.194572D+02 -0.260146D+02  0.510338D+00 -0.682904D+00
      6  -0.802698D+01  0.151104D+02  0.160475D+02  0.197134D+01 -0.428006D+01
               201           202           203           204           205 
      1   0.287092D+01  0.441950D+01 -0.358558D+02 -0.833937D+01  0.228600D+01
      2  -0.356640D+01 -0.207958D+01  0.627907D+02  0.132883D+02 -0.139209D+01
      3   0.695480D+00 -0.233992D+01 -0.269349D+02 -0.494896D+01 -0.893913D+00
      4   0.109879D+01  0.794371D+01  0.226163D+02  0.382887D+01  0.337376D+01
      5  -0.467352D+00  0.853189D-01  0.680644D+01  0.552517D+01  0.913700D+00
      6  -0.289509D+01 -0.525109D+00  0.165686D+02  0.119579D+02 -0.487229D+00
               206           207           208           209           210 
      1  -0.167791D+02 -0.799283D+01 -0.156882D+02 -0.118306D+02  0.777152D+01
      2   0.262461D+02  0.109575D+02  0.998044D+01  0.823819D+01 -0.256307D+01
      3  -0.946700D+01 -0.296463D+01  0.570776D+01  0.359240D+01 -0.520846D+01
      4   0.933629D+01  0.356687D+01  0.993971D+00 -0.748171D+01  0.379162D+01
      5   0.572489D+01  0.249087D+01 -0.221708D+01  0.183615D+01 -0.795503D+01
      6   0.148604D+02  0.791139D+01 -0.321607D+01 -0.712062D+01  0.708654D+01
               211           212           213           214           215 
      1  -0.169979D+02 -0.163982D+02  0.923077D+01  0.810053D+01  0.748108D+01
      2   0.106148D+02  0.142701D+02 -0.580930D+01 -0.350500D+01 -0.473914D+01
      3   0.638308D+01  0.212805D+01 -0.342147D+01 -0.459553D+01 -0.274195D+01
      4   0.350587D+00 -0.124152D+02  0.726628D+01  0.357471D+00  0.694460D+01
      5  -0.172919D+01  0.564144D+01 -0.981755D+01  0.148605D+01 -0.295320D+01
      6  -0.380670D+01 -0.116845D+02  0.923119D+01  0.294506D+01  0.718733D+01
               216 
      1  -0.772763D+01
      2   0.218057D+01
      3   0.554706D+01
      4  -0.269306D+01
      5   0.815571D+01
      6  -0.713338D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 19:58:46 2022, MaxMem=  5368709120 cpu:           19719.3 elap:            2470.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17820 -19.17559 -19.17006 -19.16663 -19.16439
 Alpha  occ. eigenvalues --  -19.15887 -10.29778 -10.24924 -10.24715 -10.24649
 Alpha  occ. eigenvalues --  -10.24467 -10.23627  -1.09972  -1.06117  -1.05253
 Alpha  occ. eigenvalues --   -1.04029  -1.03157  -1.02685  -0.80227  -0.78633
 Alpha  occ. eigenvalues --   -0.70505  -0.66008  -0.63539  -0.59934  -0.57963
 Alpha  occ. eigenvalues --   -0.54677  -0.53488  -0.52730  -0.50537  -0.50347
 Alpha  occ. eigenvalues --   -0.48310  -0.47066  -0.44806  -0.43887  -0.42542
 Alpha  occ. eigenvalues --   -0.41761  -0.39654  -0.38914  -0.37653  -0.35981
 Alpha  occ. eigenvalues --   -0.35155  -0.34615  -0.32656  -0.31298  -0.30043
 Alpha  occ. eigenvalues --   -0.29396  -0.28909  -0.27767
 Alpha virt. eigenvalues --   -0.01220  -0.00571  -0.00139  -0.00028   0.01894
 Alpha virt. eigenvalues --    0.02077   0.02572   0.03057   0.03649   0.04519
 Alpha virt. eigenvalues --    0.05642   0.06029   0.06641   0.07360   0.07619
 Alpha virt. eigenvalues --    0.07889   0.08510   0.08701   0.09289   0.09677
 Alpha virt. eigenvalues --    0.09946   0.10417   0.10725   0.10863   0.11298
 Alpha virt. eigenvalues --    0.11981   0.12252   0.12585   0.13098   0.13378
 Alpha virt. eigenvalues --    0.13456   0.14160   0.14744   0.14850   0.15188
 Alpha virt. eigenvalues --    0.15703   0.16125   0.16345   0.17426   0.17852
 Alpha virt. eigenvalues --    0.18396   0.18859   0.19685   0.20394   0.20532
 Alpha virt. eigenvalues --    0.21453   0.21826   0.22039   0.22429   0.23301
 Alpha virt. eigenvalues --    0.23494   0.23882   0.24064   0.24127   0.24363
 Alpha virt. eigenvalues --    0.25215   0.25661   0.26153   0.26296   0.26636
 Alpha virt. eigenvalues --    0.27251   0.27618   0.27949   0.28689   0.29182
 Alpha virt. eigenvalues --    0.29639   0.29915   0.30746   0.30823   0.31692
 Alpha virt. eigenvalues --    0.32045   0.32762   0.33190   0.33569   0.33685
 Alpha virt. eigenvalues --    0.34984   0.35333   0.36220   0.36442   0.37027
 Alpha virt. eigenvalues --    0.37273   0.37789   0.37815   0.38980   0.39825
 Alpha virt. eigenvalues --    0.40447   0.40693   0.41134   0.41617   0.42341
 Alpha virt. eigenvalues --    0.42487   0.43376   0.44305   0.44751   0.45319
 Alpha virt. eigenvalues --    0.46336   0.48293   0.49589   0.49984   0.50720
 Alpha virt. eigenvalues --    0.51300   0.51883   0.52206   0.52893   0.53405
 Alpha virt. eigenvalues --    0.54225   0.55115   0.55263   0.55474   0.56326
 Alpha virt. eigenvalues --    0.57351   0.58191   0.58996   0.59178   0.59518
 Alpha virt. eigenvalues --    0.60900   0.61970   0.62568   0.62835   0.63624
 Alpha virt. eigenvalues --    0.63747   0.64163   0.65209   0.65499   0.66586
 Alpha virt. eigenvalues --    0.67700   0.67762   0.68421   0.69868   0.70551
 Alpha virt. eigenvalues --    0.71002   0.71558   0.72409   0.73234   0.73924
 Alpha virt. eigenvalues --    0.74163   0.75844   0.77205   0.77795   0.78583
 Alpha virt. eigenvalues --    0.78857   0.79624   0.80542   0.80723   0.81763
 Alpha virt. eigenvalues --    0.83179   0.84571   0.84824   0.85951   0.87329
 Alpha virt. eigenvalues --    0.87458   0.88255   0.88580   0.91089   0.92275
 Alpha virt. eigenvalues --    0.92824   0.93446   0.95171   0.96525   0.97024
 Alpha virt. eigenvalues --    0.99432   0.99958   1.00430   1.01569   1.02549
 Alpha virt. eigenvalues --    1.04303   1.04970   1.06227   1.06653   1.07651
 Alpha virt. eigenvalues --    1.07778   1.08853   1.09993   1.11132   1.12838
 Alpha virt. eigenvalues --    1.13398   1.13934   1.14830   1.15806   1.17413
 Alpha virt. eigenvalues --    1.18731   1.19780   1.22443   1.24282   1.24959
 Alpha virt. eigenvalues --    1.25721   1.26436   1.28216   1.30103   1.30558
 Alpha virt. eigenvalues --    1.31487   1.34825   1.35994   1.37703   1.38566
 Alpha virt. eigenvalues --    1.39996   1.40901   1.41714   1.43480   1.45168
 Alpha virt. eigenvalues --    1.46140   1.47853   1.48226   1.49938   1.50838
 Alpha virt. eigenvalues --    1.52390   1.54633   1.56982   1.57665   1.58314
 Alpha virt. eigenvalues --    1.58478   1.61179   1.62328   1.63293   1.64725
 Alpha virt. eigenvalues --    1.65203   1.68594   1.69567   1.70790   1.72793
 Alpha virt. eigenvalues --    1.73699   1.74438   1.76175   1.77398   1.78974
 Alpha virt. eigenvalues --    1.79811   1.82115   1.82548   1.82877   1.84356
 Alpha virt. eigenvalues --    1.85062   1.88315   1.89948   1.90238   1.90984
 Alpha virt. eigenvalues --    1.92120   1.92625   1.94542   1.95236   1.97543
 Alpha virt. eigenvalues --    1.98777   1.99516   2.00904   2.01929   2.03437
 Alpha virt. eigenvalues --    2.05779   2.06010   2.07091   2.08255   2.09664
 Alpha virt. eigenvalues --    2.10959   2.12150   2.12805   2.16045   2.17231
 Alpha virt. eigenvalues --    2.18137   2.19521   2.20988   2.23252   2.24046
 Alpha virt. eigenvalues --    2.25037   2.26754   2.28522   2.29663   2.30242
 Alpha virt. eigenvalues --    2.32618   2.33077   2.36390   2.38835   2.39089
 Alpha virt. eigenvalues --    2.41506   2.44004   2.44704   2.45613   2.48054
 Alpha virt. eigenvalues --    2.49317   2.51132   2.54850   2.55302   2.55813
 Alpha virt. eigenvalues --    2.57909   2.59112   2.60394   2.65850   2.67900
 Alpha virt. eigenvalues --    2.70037   2.71671   2.72385   2.73271   2.76833
 Alpha virt. eigenvalues --    2.78435   2.79932   2.82452   2.85316   2.85622
 Alpha virt. eigenvalues --    2.98767   3.00388   3.06530   3.11394   3.14688
 Alpha virt. eigenvalues --    3.23452   3.30785   3.34325   3.38371   3.40795
 Alpha virt. eigenvalues --    3.41555   3.42398   3.43039   3.43964   3.44463
 Alpha virt. eigenvalues --    3.45430   3.47209   3.48489   3.49615   3.50007
 Alpha virt. eigenvalues --    3.50958   3.51871   3.52404   3.53231   3.55464
 Alpha virt. eigenvalues --    3.57392   3.59522   3.61511   3.65453   3.69140
 Alpha virt. eigenvalues --    3.73950   3.76231   3.84548   3.86001   3.95289
 Alpha virt. eigenvalues --    3.99524   4.01948   4.04316   4.06786   4.12895
 Alpha virt. eigenvalues --    4.35895
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.411111  -1.573496  -2.196871   0.275422  -0.015485   0.127033
     2  C   -1.573496   9.858476  -1.159223   0.724044   0.292337  -2.224215
     3  C   -2.196871  -1.159223  11.280195  -3.570857   0.229605   0.862045
     4  C    0.275422   0.724044  -3.570857  12.220753  -0.946505  -2.098016
     5  O   -0.015485   0.292337   0.229605  -0.946505   9.355227  -0.053777
     6  C    0.127033  -2.224215   0.862045  -2.098016  -0.053777   8.765113
     7  O   -0.781533   0.273044   0.175707   0.144900  -0.004790  -0.064760
     8  H   -1.183388   0.442167  -0.169522   0.043699   0.006845  -0.191454
     9  O    0.208599  -0.815322   0.152528  -0.053633  -0.021278   0.271556
    10  H   -0.279342  -1.071584   0.218393  -0.091324  -0.047128   0.403276
    11  H    0.109987   0.010480  -0.997141  -0.119640   0.047032   0.007423
    12  O    0.271239   0.009418  -0.754267   0.151184   0.000424   0.009998
    13  C   -0.588394   0.212492   0.142684  -0.706741   0.018538  -0.167702
    14  H   -0.149194   0.137862   0.707498  -1.730830   0.077643   0.066066
    15  O    0.098256   0.080633  -0.086862   0.213310  -0.083694  -0.286934
    16  H   -0.015775  -0.136553   0.100747   0.303870   0.024405  -0.838985
    17  H    0.159019  -0.116327  -0.010388  -0.018361  -0.002160   0.027666
    18  H   -0.040689   0.236518  -0.026331   0.013082   0.008139  -0.141991
    19  H   -0.074935  -0.006820   0.137490  -0.026214  -0.002384  -0.002575
    20  O   -0.003525   0.002958  -0.082888   0.136216  -0.051310   0.009866
    21  H    0.113935  -0.004311   0.058252  -0.273016   0.185818   0.056213
    22  H   -0.024031  -0.003694  -0.060446   0.625840  -0.137511  -0.020914
    23  H   -0.002400  -0.062445   0.026227  -0.082079  -0.008812   0.157689
    24  H   -0.000497   0.000363   0.040932  -0.061629   0.055146  -0.018427
               7          8          9         10         11         12
     1  C   -0.781533  -1.183388   0.208599  -0.279342   0.109987   0.271239
     2  C    0.273044   0.442167  -0.815322  -1.071584   0.010480   0.009418
     3  C    0.175707  -0.169522   0.152528   0.218393  -0.997141  -0.754267
     4  C    0.144900   0.043699  -0.053633  -0.091324  -0.119640   0.151184
     5  O   -0.004790   0.006845  -0.021278  -0.047128   0.047032   0.000424
     6  C   -0.064760  -0.191454   0.271556   0.403276   0.007423   0.009998
     7  O    8.746614  -0.046353  -0.021225   0.031147  -0.024824  -0.025043
     8  H   -0.046353   2.428905  -0.041000   0.088624   0.119695   0.035131
     9  O   -0.021225  -0.041000   8.710180  -0.017638  -0.005815  -0.005887
    10  H    0.031147   0.088624  -0.017638   2.227215   0.033326   0.004279
    11  H   -0.024824   0.119695  -0.005815   0.033326   2.387647  -0.037220
    12  O   -0.025043   0.035131  -0.005887   0.004279  -0.037220   8.720496
    13  C    0.004168   0.086857  -0.004245   0.038823  -0.029764   0.035035
    14  H   -0.007028  -0.008959  -0.016118  -0.009003   0.113342  -0.033487
    15  O   -0.002638  -0.002423  -0.004332  -0.021548  -0.008831   0.000140
    16  H    0.002812  -0.005920   0.042832   0.096491  -0.003075  -0.011282
    17  H    0.261270  -0.093517   0.018929  -0.016881   0.001621   0.005003
    18  H    0.005043   0.007423   0.250304  -0.093760  -0.001993   0.000209
    19  H    0.019450  -0.014431   0.000667   0.001250  -0.072177   0.273760
    20  O   -0.000384  -0.002969  -0.000140  -0.006467   0.005128   0.015922
    21  H   -0.001187   0.013939  -0.000001   0.004695  -0.034609  -0.014644
    22  H    0.000997   0.002871   0.000131  -0.001742   0.019129   0.007215
    23  H   -0.000292  -0.003705   0.006095   0.002529   0.001562   0.000177
    24  H   -0.000464   0.000222  -0.000004   0.000926  -0.013448  -0.002781
              13         14         15         16         17         18
     1  C   -0.588394  -0.149194   0.098256  -0.015775   0.159019  -0.040689
     2  C    0.212492   0.137862   0.080633  -0.136553  -0.116327   0.236518
     3  C    0.142684   0.707498  -0.086862   0.100747  -0.010388  -0.026331
     4  C   -0.706741  -1.730830   0.213310   0.303870  -0.018361   0.013082
     5  O    0.018538   0.077643  -0.083694   0.024405  -0.002160   0.008139
     6  C   -0.167702   0.066066  -0.286934  -0.838985   0.027666  -0.141991
     7  O    0.004168  -0.007028  -0.002638   0.002812   0.261270   0.005043
     8  H    0.086857  -0.008959  -0.002423  -0.005920  -0.093517   0.007423
     9  O   -0.004245  -0.016118  -0.004332   0.042832   0.018929   0.250304
    10  H    0.038823  -0.009003  -0.021548   0.096491  -0.016881  -0.093760
    11  H   -0.029764   0.113342  -0.008831  -0.003075   0.001621  -0.001993
    12  O    0.035035  -0.033487   0.000140  -0.011282   0.005003   0.000209
    13  C    5.829181   0.022174  -0.024880   0.040852  -0.005315   0.001314
    14  H    0.022174   2.688635  -0.007426  -0.026068  -0.001520   0.002872
    15  O   -0.024880  -0.007426   8.544657  -0.092515  -0.000352   0.011699
    16  H    0.040852  -0.026068  -0.092515   2.130116  -0.000932  -0.024941
    17  H   -0.005315  -0.001520  -0.000352  -0.000932   0.660245  -0.001899
    18  H    0.001314   0.002872   0.011699  -0.024941  -0.001899   0.668551
    19  H    0.000275  -0.000551  -0.000165  -0.000151  -0.002215  -0.000299
    20  O    0.024178  -0.005796  -0.003064  -0.002879   0.000381   0.000230
    21  H   -0.181951  -0.069456   0.000720   0.006102  -0.000380  -0.000019
    22  H   -0.242930  -0.121724  -0.005601  -0.000655  -0.000003  -0.000006
    23  H   -0.002895  -0.004448   0.276131  -0.093424   0.000137  -0.002615
    24  H   -0.021936   0.010802   0.005270   0.001688  -0.000100   0.000004
              19         20         21         22         23         24
     1  C   -0.074935  -0.003525   0.113935  -0.024031  -0.002400  -0.000497
     2  C   -0.006820   0.002958  -0.004311  -0.003694  -0.062445   0.000363
     3  C    0.137490  -0.082888   0.058252  -0.060446   0.026227   0.040932
     4  C   -0.026214   0.136216  -0.273016   0.625840  -0.082079  -0.061629
     5  O   -0.002384  -0.051310   0.185818  -0.137511  -0.008812   0.055146
     6  C   -0.002575   0.009866   0.056213  -0.020914   0.157689  -0.018427
     7  O    0.019450  -0.000384  -0.001187   0.000997  -0.000292  -0.000464
     8  H   -0.014431  -0.002969   0.013939   0.002871  -0.003705   0.000222
     9  O    0.000667  -0.000140  -0.000001   0.000131   0.006095  -0.000004
    10  H    0.001250  -0.006467   0.004695  -0.001742   0.002529   0.000926
    11  H   -0.072177   0.005128  -0.034609   0.019129   0.001562  -0.013448
    12  O    0.273760   0.015922  -0.014644   0.007215   0.000177  -0.002781
    13  C    0.000275   0.024178  -0.181951  -0.242930  -0.002895  -0.021936
    14  H   -0.000551  -0.005796  -0.069456  -0.121724  -0.004448   0.010802
    15  O   -0.000165  -0.003064   0.000720  -0.005601   0.276131   0.005270
    16  H   -0.000151  -0.002879   0.006102  -0.000655  -0.093424   0.001688
    17  H   -0.002215   0.000381  -0.000380  -0.000003   0.000137  -0.000100
    18  H   -0.000299   0.000230  -0.000019  -0.000006  -0.002615   0.000004
    19  H    0.647620  -0.001644  -0.003430   0.000179   0.000159  -0.000172
    20  O   -0.001644   8.399102  -0.163977   0.003671   0.001135   0.265761
    21  H   -0.003430  -0.163977   2.202255  -0.497508   0.000050   0.033821
    22  H    0.000179   0.003671  -0.497508   1.888393   0.001135  -0.071684
    23  H    0.000159   0.001135   0.000050   0.001135   0.646739  -0.001640
    24  H   -0.000172   0.265761   0.033821  -0.071684  -0.001640   0.638724
 Mulliken charges:
               1
     1  C    1.154954
     2  C    0.893198
     3  C    0.982493
     4  C    0.926526
     5  O   -0.926324
     6  C    1.345806
     7  O   -0.684632
     8  H   -0.512740
     9  O   -0.655184
    10  H   -0.494557
    11  H   -0.507835
    12  O   -0.655023
    13  C    1.520181
    14  H   -0.635286
    15  O   -0.599550
    16  H   -0.496759
    17  H    0.136080
    18  H    0.129153
    19  H    0.127314
    20  O   -0.539503
    21  H   -0.431312
    22  H   -0.361111
    23  H    0.144991
    24  H    0.139121
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.642214
     2  C    0.398640
     3  C    0.474658
     4  C    0.291240
     5  O   -0.926324
     6  C    0.849048
     7  O   -0.548552
     9  O   -0.526031
    12  O   -0.527710
    13  C    0.727758
    15  O   -0.454559
    20  O   -0.400382
 Electronic spatial extent (au):  <R**2>=           2114.4595
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.8387    Y=             -2.4246    Z=             -2.2370  Tot=              4.3521
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -78.4362   YY=            -66.6712   ZZ=            -72.2824
   XY=              0.3035   XZ=             -4.0625   YZ=              3.7307
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.9729   YY=              5.7921   ZZ=              0.1809
   XY=              0.3035   XZ=             -4.0625   YZ=              3.7307
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -46.0306  YYY=            -20.4416  ZZZ=              0.6745  XYY=            -11.2886
  XXY=             -4.6004  XXZ=             -8.7939  XZZ=             -7.4014  YZZ=             -8.9066
  YYZ=             -7.8397  XYZ=              1.0078
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1475.3925 YYYY=           -786.9315 ZZZZ=           -212.1811 XXXY=             23.7393
 XXXZ=            -91.1864 YYYX=             19.3707 YYYZ=             26.3108 ZZZX=              1.3967
 ZZZY=             -2.5239 XXYY=           -371.3498 XXZZ=           -294.8476 YYZZ=           -195.9991
 XXYZ=             19.0494 YYXZ=             28.4920 ZZXY=             -2.3162
 N-N= 8.322132010642D+02 E-N=-3.277125923339D+03  KE= 6.834288403907D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 19:58:48 2022, MaxMem=  5368709120 cpu:               8.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.15275968D+00-9.56241670D-01-8.33212327D-01
 Polarizability= 1.27180757D+02 2.70505437D+00 1.21777246D+02
                -2.52810957D+00-3.75152984D-01 1.09785942D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8042    0.8048        0.8033    0.8014
 2     -0.8042   -0.8048        0.1917    0.1907       -3.6074   -3.6080
 3     -0.8033   -0.8014       11.3537   11.3538       -0.1895   -0.1907
 4     -0.1917   -0.1907       -0.0000    0.0000       -0.8002   -0.8014
 5     -7.7463   -7.7458        0.8002    0.8014        0.8049    0.8048
 6      0.1895    0.1907       -0.8049   -0.8048        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.4144   -2.4144        2.4042    2.4042
 2     -0.5720   -0.5720       -0.0000    0.0000        2.4042    2.4042
 3     -0.5720   -0.5720       -2.4144   -2.4144        0.0000    0.0000
 4     -2.4144   -2.4144        0.5720    0.5720      -10.8240  -10.8240
 5     -2.4042   -2.4042       34.0615   34.0615       -0.5720   -0.5720
 6    -23.2375  -23.2375        2.4042    2.4042        2.4144    2.4144
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0334    0.0000       -3.2229   -3.2192       -3.0794   -3.2056
 2      3.1645    3.2192       -0.8399   -0.7626       14.5457   14.4320
 3      3.1416    3.2056      -45.5875  -45.4153        0.6339    0.7626
 4      0.6585    0.7626        0.1316    0.0000        3.2016    3.2056
 5     31.0404   30.9833       -3.1971   -3.2056       -3.4640   -3.2192
 6     -0.5939   -0.7626        3.1875    3.2192        0.1152    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0651    0.0000       -0.0790   -0.0913       -2.5882   -2.6170
 2      0.0274    0.0913        6.1819    6.2416       10.1345   10.1352
 3      2.7055    2.6170       -0.7465   -0.7690       -6.1927   -6.2416
 4     -6.3072   -6.2416        0.0049    0.0000        2.4037    2.6170
 5     -9.3310   -9.3662       -2.6728   -2.6170       -0.0940   -0.0913
 6      6.2577    6.2416        0.0947    0.0913        0.1366    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -26.5668  -26.2685        9.9456    9.9848       -0.6594   -0.4170
 2    -39.8491  -39.4392       16.2986   16.2123       -0.8535   -0.4170
 3    -39.8456  -39.4392       10.0689    9.9848       -0.2076    0.2413
 4     -6.5387   -6.2275       13.2247   13.1706        6.5976    7.0301
 5      0.5784    0.6583        1.0911    0.8922      -13.5137  -13.1706
 6     -7.8376   -7.9223       -0.5720   -0.6583        5.7062    6.2275
 Full mass-weighted force constant matrix:
 Low frequencies ---  -19.1141  -14.8163  -12.7132   -0.0005    0.0001    0.0007
 Low frequencies ---   62.8603   79.4899  110.3794
 Diagonal vibrational polarizability:
      164.2165828     107.4721679     252.1183100
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     62.8520                79.3668               110.3728
 Red. masses --      5.8023                 5.3389                 6.6749
 Frc consts  --      0.0135                 0.0198                 0.0479
 IR Inten    --      1.2508                 4.9795                 3.4128
 RamAct Fr= 1--      0.0593                 0.2371                 0.0489
  Dep-P Fr= 1--      0.7312                 0.7499                 0.7274
  Dep-U Fr= 1--      0.8447                 0.8571                 0.8422
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0083                 0.0339                 0.0069
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      0.0051                 0.0808                 0.0692
 Delta2 Fr= 1--     -0.0011                -0.0256                 0.0410
 Raman1 Fr= 1--       0.237                  0.949                  0.196
 ROA1   Fr= 1--       0.453                  6.933                  7.958
 CID1   Fr= 1--       1.913                  7.310                 40.697
 Raman2 Fr= 1--       0.100                  0.406                  0.082
 ROA2   Fr= 1--       0.131                  2.143                  1.333
 CID2   Fr= 1--       1.308                  5.272                 16.193
 Raman3 Fr= 1--       0.200                  0.813                  0.165
 ROA3   Fr= 1--       0.453                  6.933                  7.958
 CID3   Fr= 1--       2.265                  8.528                 48.322
 RC180  Fr= 1--       0.689                  0.714                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01  -0.01   0.06    -0.01   0.04   0.10
     2   6     0.08  -0.02   0.06    -0.02  -0.02   0.00    -0.05   0.01  -0.05
     3   6     0.02   0.05  -0.11     0.02  -0.05  -0.03     0.01   0.07  -0.05
     4   6     0.06   0.03  -0.04    -0.02  -0.09   0.02     0.00   0.02   0.03
     5   8     0.03   0.01  -0.12    -0.05  -0.05   0.06     0.03   0.06   0.15
     6   6     0.02   0.04  -0.06    -0.03   0.01  -0.05     0.04  -0.00   0.05
     7   8     0.02  -0.00   0.03     0.09  -0.05   0.17     0.04  -0.06   0.32
     8   1    -0.09  -0.01   0.02    -0.05   0.07   0.08    -0.08   0.20   0.14
     9   8     0.03  -0.03   0.26    -0.01   0.03   0.01    -0.00   0.00  -0.31
    10   1     0.23  -0.06   0.04    -0.02  -0.07  -0.00    -0.24  -0.00  -0.03
    11   1     0.09   0.15  -0.12     0.08   0.00  -0.05     0.14   0.20  -0.07
    12   8    -0.05   0.02  -0.25     0.01  -0.10  -0.13    -0.10   0.02  -0.28
    13   6     0.01   0.02   0.16    -0.01  -0.06   0.02     0.01   0.03   0.01
    14   1     0.18   0.02  -0.05    -0.02  -0.14   0.01    -0.04  -0.06   0.03
    15   8     0.04  -0.01  -0.13    -0.12  -0.01  -0.19     0.05   0.00   0.08
    16   1    -0.02   0.12  -0.05     0.07   0.10  -0.05     0.11  -0.07   0.04
    17   1     0.01  -0.07   0.15     0.09   0.03   0.18     0.06   0.08   0.23
    18   1     0.10  -0.07   0.26    -0.02  -0.01  -0.09    -0.06   0.02  -0.36
    19   1     0.04   0.04  -0.20     0.11  -0.07  -0.09     0.02   0.05  -0.23
    20   8    -0.24  -0.10   0.18     0.10   0.36   0.07    -0.03  -0.18  -0.02
    21   1     0.06   0.04   0.34    -0.00  -0.16  -0.28    -0.01   0.08   0.14
    22   1     0.12   0.06   0.15    -0.09  -0.24   0.25     0.05   0.12  -0.10
    23   1     0.01   0.04  -0.22    -0.10   0.02  -0.23     0.14  -0.02   0.17
    24   1    -0.37  -0.04   0.02     0.24   0.33   0.32    -0.11  -0.14  -0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    135.9291               166.3916               212.6872
 Red. masses --      5.3614                 1.4862                 1.7230
 Frc consts  --      0.0584                 0.0242                 0.0459
 IR Inten    --      6.9162               162.6939                28.5787
 RamAct Fr= 1--      0.0895                 0.5713                 0.6699
  Dep-P Fr= 1--      0.7384                 0.7003                 0.7431
  Dep-U Fr= 1--      0.8495                 0.8238                 0.8526
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0001
 Beta2  Fr= 1--      0.0127                 0.0784                 0.0952
 AlphaG Fr= 1--      0.0000                -0.0014                 0.0011
 Gamma2 Fr= 1--     -0.0411                 0.0724                -0.1671
 Delta2 Fr= 1--     -0.0402                 0.0709                -0.2004
 Raman1 Fr= 1--       0.358                  2.285                  2.680
 ROA1   Fr= 1--      -5.233                  9.214                -22.452
 CID1   Fr= 1--     -14.611                  4.032                 -8.379
 Raman2 Fr= 1--       0.152                  0.941                  1.142
 ROA2   Fr= 1--      -0.664                  1.170                 -2.407
 CID2   Fr= 1--      -4.367                  1.243                 -2.107
 Raman3 Fr= 1--       0.304                  1.882                  2.285
 ROA3   Fr= 1--      -5.233                  9.214                -22.452
 CID3   Fr= 1--     -17.200                  4.895                 -9.827
 RC180  Fr= 1--       0.699                  0.648                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.02    -0.01   0.00   0.01     0.01  -0.04   0.02
     2   6     0.01  -0.00  -0.07    -0.01   0.01   0.02    -0.04  -0.02   0.03
     3   6     0.01  -0.05  -0.05    -0.01  -0.02  -0.01     0.00  -0.02   0.00
     4   6     0.00   0.00  -0.15    -0.00  -0.00  -0.02     0.01  -0.01  -0.01
     5   8     0.00  -0.04  -0.24     0.01  -0.01  -0.02    -0.01   0.02   0.02
     6   6    -0.04  -0.05  -0.02     0.01   0.01   0.01    -0.01  -0.01   0.01
     7   8     0.08  -0.06   0.13     0.11   0.05   0.02     0.10   0.01  -0.02
     8   1    -0.01   0.11   0.01    -0.03   0.01   0.02     0.00  -0.06   0.02
     9   8     0.02   0.03  -0.10    -0.01  -0.10   0.01    -0.02   0.08  -0.01
    10   1    -0.01   0.01  -0.06    -0.00   0.01   0.02    -0.07  -0.02   0.03
    11   1    -0.00  -0.18  -0.06    -0.01  -0.04  -0.00     0.01  -0.04   0.00
    12   8     0.06  -0.01   0.09    -0.03   0.01   0.03    -0.08   0.04   0.03
    13   6    -0.04  -0.00  -0.01    -0.00   0.01  -0.00    -0.00  -0.04  -0.01
    14   1     0.07   0.07  -0.15     0.00   0.00  -0.02    -0.00  -0.01  -0.01
    15   8     0.08  -0.00   0.25    -0.02   0.03   0.02     0.07  -0.08  -0.05
    16   1    -0.23  -0.19  -0.00    -0.02   0.02   0.02     0.00   0.03   0.01
    17   1     0.06  -0.10   0.27     0.19   0.50  -0.43     0.13   0.23  -0.23
    18   1    -0.05   0.15   0.11     0.14  -0.37  -0.45    -0.18   0.34   0.39
    19   1     0.16  -0.04   0.27    -0.25  -0.01  -0.15    -0.44  -0.00  -0.24
    20   8    -0.22   0.17   0.05    -0.03   0.01   0.00    -0.02   0.01   0.00
    21   1     0.02  -0.06  -0.04    -0.01   0.02   0.01     0.03  -0.06  -0.03
    22   1    -0.00  -0.09   0.14     0.02   0.02   0.00    -0.03  -0.07   0.02
    23   1     0.03  -0.07   0.33    -0.19   0.04  -0.10     0.46  -0.08   0.14
    24   1    -0.29   0.24   0.06    -0.04   0.02  -0.01    -0.07   0.06   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    239.9169               258.4446               264.8425
 Red. masses --      2.6856                 1.7862                 2.0320
 Frc consts  --      0.0911                 0.0703                 0.0840
 IR Inten    --     13.4589                92.9651                98.8241
 RamAct Fr= 1--      0.7066                 0.2220                 0.7561
  Dep-P Fr= 1--      0.1955                 0.6807                 0.2000
  Dep-U Fr= 1--      0.3270                 0.8100                 0.3333
 Alpha2 Fr= 1--      0.0097                 0.0003                 0.0103
 Beta2  Fr= 1--      0.0385                 0.0300                 0.0420
 AlphaG Fr= 1--     -0.0067                 0.0018                 0.0174
 Gamma2 Fr= 1--      0.0196                -0.0421                -0.0884
 Delta2 Fr= 1--      0.0796                 0.0186                 0.0282
 Raman1 Fr= 1--       2.827                  0.888                  3.025
 ROA1   Fr= 1--       4.432                 -3.450                 -7.581
 CID1   Fr= 1--       1.568                 -3.884                 -2.506
 Raman2 Fr= 1--       0.462                  0.360                  0.504
 ROA2   Fr= 1--      -0.166                 -1.159                 -2.347
 CID2   Fr= 1--      -0.359                 -3.224                 -4.655
 Raman3 Fr= 1--       0.924                  0.719                  1.008
 ROA3   Fr= 1--       4.432                 -3.450                 -7.581
 CID3   Fr= 1--       4.794                 -4.796                 -7.519
 RC180  Fr= 1--      -0.346                  0.620                 -0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03  -0.02    -0.04   0.03  -0.04    -0.04   0.04  -0.02
     2   6     0.01   0.00   0.01    -0.04   0.02  -0.03    -0.04   0.02  -0.04
     3   6     0.01   0.02  -0.02    -0.05  -0.04  -0.03    -0.01   0.03  -0.01
     4   6    -0.04   0.01  -0.03    -0.03  -0.03   0.00     0.03   0.02   0.01
     5   8     0.01   0.06   0.18    -0.01  -0.02   0.01    -0.03   0.04  -0.07
     6   6     0.05   0.01   0.04    -0.01   0.00  -0.01    -0.02   0.05  -0.05
     7   8     0.00   0.03  -0.01     0.07   0.04   0.02    -0.03   0.02   0.03
     8   1    -0.02   0.03  -0.01    -0.06   0.07  -0.02    -0.03   0.08  -0.02
     9   8    -0.00  -0.08   0.02    -0.06  -0.05   0.02    -0.07  -0.07   0.03
    10   1     0.02   0.04   0.01    -0.01   0.03  -0.03     0.01   0.01  -0.04
    11   1    -0.01  -0.03  -0.02    -0.09  -0.05  -0.02    -0.03   0.05  -0.01
    12   8     0.10  -0.01   0.04     0.06  -0.10  -0.00    -0.02   0.03  -0.02
    13   6    -0.06  -0.05  -0.09     0.01   0.15   0.03     0.00  -0.15   0.04
    14   1    -0.17  -0.09  -0.02    -0.01  -0.05  -0.00     0.11   0.05   0.00
    15   8     0.05  -0.03  -0.08    -0.02   0.00  -0.02     0.04   0.04   0.02
    16   1     0.17   0.05   0.02     0.02  -0.00  -0.02    -0.05   0.01  -0.05
    17   1     0.00   0.02   0.03     0.09   0.20  -0.03    -0.01   0.12  -0.07
    18   1     0.07  -0.15  -0.05    -0.05   0.06   0.31     0.04  -0.18  -0.08
    19   1     0.36   0.01   0.27     0.28  -0.06   0.16     0.20   0.03   0.22
    20   8    -0.16   0.02  -0.07     0.01   0.00   0.00     0.10  -0.04   0.04
    21   1     0.03  -0.13  -0.14    -0.14   0.30   0.17     0.14  -0.30  -0.11
    22   1    -0.15  -0.13  -0.03     0.21   0.29  -0.08    -0.20  -0.27   0.11
    23   1     0.35  -0.02   0.06     0.38  -0.06   0.27     0.53  -0.05   0.40
    24   1    -0.50   0.36  -0.00     0.25  -0.27  -0.14     0.14  -0.02   0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    284.9969               296.3470               307.7879
 Red. masses --      2.5206                 1.6727                 1.3117
 Frc consts  --      0.1206                 0.0865                 0.0732
 IR Inten    --     51.2290                44.6751               154.0826
 RamAct Fr= 1--      0.7445                 1.1185                 0.5320
  Dep-P Fr= 1--      0.7210                 0.4872                 0.1623
  Dep-U Fr= 1--      0.8379                 0.6552                 0.2793
 Alpha2 Fr= 1--      0.0004                 0.0059                 0.0080
 Beta2  Fr= 1--      0.1040                 0.1221                 0.0248
 AlphaG Fr= 1--     -0.0031                -0.0067                -0.0091
 Gamma2 Fr= 1--      0.2747                -0.0101                -0.0039
 Delta2 Fr= 1--      0.1983                 0.0470                 0.0046
 Raman1 Fr= 1--       2.978                  4.474                  2.128
 ROA1   Fr= 1--      32.719                  0.530                 -0.231
 CID1   Fr= 1--      10.987                  0.118                 -0.108
 Raman2 Fr= 1--       1.248                  1.466                  0.297
 ROA2   Fr= 1--       5.007                 -0.619                 -0.131
 CID2   Fr= 1--       4.014                 -0.422                 -0.440
 Raman3 Fr= 1--       2.495                  2.931                  0.594
 ROA3   Fr= 1--      32.719                  0.530                 -0.231
 CID3   Fr= 1--      13.113                  0.181                 -0.388
 RC180  Fr= 1--       0.676                  0.310                 -0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.11    -0.01  -0.03   0.03    -0.02   0.04  -0.01
     2   6     0.00   0.02  -0.08    -0.05  -0.00   0.07    -0.00   0.01  -0.03
     3   6    -0.02  -0.02  -0.09    -0.01  -0.02  -0.00    -0.01   0.03   0.00
     4   6     0.04  -0.03  -0.03     0.01   0.01  -0.01    -0.00   0.02   0.02
     5   8     0.02   0.02   0.09    -0.00   0.02  -0.02     0.01   0.01  -0.01
     6   6     0.02   0.01  -0.02    -0.02   0.01   0.04     0.00  -0.00  -0.01
     7   8     0.13  -0.01   0.00     0.08   0.06  -0.06    -0.04   0.01   0.04
     8   1    -0.07   0.07  -0.09    -0.02  -0.09   0.03    -0.01   0.08  -0.00
     9   8    -0.03  -0.10   0.01    -0.04   0.01  -0.04    -0.01  -0.08  -0.03
    10   1     0.07   0.06  -0.08    -0.13   0.01   0.08     0.00   0.03  -0.03
    11   1    -0.11  -0.08  -0.08     0.03  -0.01  -0.01    -0.03   0.05   0.01
    12   8    -0.09   0.11   0.07    -0.08   0.02  -0.03     0.06  -0.01  -0.01
    13   6     0.04  -0.03   0.01     0.01  -0.01   0.01    -0.01  -0.03   0.00
    14   1     0.05  -0.15  -0.05     0.04   0.01  -0.01     0.01   0.04   0.02
    15   8    -0.08   0.08   0.01     0.07  -0.07  -0.00     0.02   0.00   0.01
    16   1     0.11  -0.05  -0.03    -0.07   0.05   0.06    -0.01  -0.02  -0.00
    17   1     0.05  -0.29   0.65     0.06   0.02   0.12     0.01   0.24  -0.33
    18   1     0.02   0.01   0.38    -0.08   0.05  -0.00    -0.06   0.22   0.67
    19   1    -0.27   0.02   0.09     0.47  -0.02   0.65     0.04   0.02  -0.10
    20   8     0.03  -0.02   0.01     0.02  -0.00   0.01     0.03  -0.01   0.00
    21   1     0.05  -0.03   0.01     0.02  -0.01   0.01     0.04  -0.07  -0.04
    22   1     0.05  -0.03   0.02     0.00  -0.01   0.01    -0.08  -0.06   0.01
    23   1    -0.22   0.04   0.01    -0.29   0.06  -0.38    -0.38   0.06  -0.29
    24   1    -0.06   0.06   0.02     0.03  -0.01   0.01    -0.09   0.11   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    323.1681               341.8798               356.3629
 Red. masses --      2.3306                 2.4883                 1.4766
 Frc consts  --      0.1434                 0.1714                 0.1105
 IR Inten    --     67.9681               123.0013               186.2317
 RamAct Fr= 1--      0.3747                 0.5202                 1.3914
  Dep-P Fr= 1--      0.5663                 0.0517                 0.6569
  Dep-U Fr= 1--      0.7231                 0.0983                 0.7929
 Alpha2 Fr= 1--      0.0013                 0.0102                 0.0023
 Beta2  Fr= 1--      0.0452                 0.0085                 0.1839
 AlphaG Fr= 1--     -0.0010                -0.0109                -0.0001
 Gamma2 Fr= 1--     -0.2957                 0.0568                 0.2007
 Delta2 Fr= 1--     -0.1862                 0.0288                 0.1404
 Raman1 Fr= 1--       1.499                  2.081                  5.566
 ROA1   Fr= 1--     -34.344                  6.377                 23.764
 CID1   Fr= 1--     -22.915                  3.065                  4.270
 Raman2 Fr= 1--       0.542                  0.102                  2.207
 ROA2   Fr= 1--      -5.607                  1.133                  3.695
 CID2   Fr= 1--     -10.347                 11.085                  1.674
 Raman3 Fr= 1--       1.084                  0.204                  4.413
 ROA3   Fr= 1--     -34.344                  6.377                 23.764
 CID3   Fr= 1--     -31.689                 31.188                  5.385
 RC180  Fr= 1--       0.446                 -0.803                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03   0.09    -0.04   0.04  -0.08    -0.03  -0.01  -0.02
     2   6    -0.01   0.02   0.09    -0.06   0.01  -0.06    -0.05   0.00  -0.02
     3   6    -0.01  -0.01   0.07    -0.02   0.02  -0.05    -0.03  -0.02   0.00
     4   6    -0.02   0.01   0.02    -0.02   0.02  -0.00     0.02   0.00   0.01
     5   8     0.01  -0.03  -0.08    -0.04   0.08   0.04     0.00  -0.00  -0.03
     6   6     0.02   0.06   0.04    -0.03  -0.02  -0.02    -0.02  -0.00  -0.01
     7   8     0.02   0.14  -0.06     0.03   0.01   0.03     0.01  -0.00   0.00
     8   1    -0.00  -0.06   0.07    -0.08   0.10  -0.06    -0.03   0.01  -0.01
     9   8     0.00  -0.12  -0.09    -0.09   0.05   0.06    -0.06   0.04   0.03
    10   1    -0.12   0.02   0.11     0.00   0.04  -0.07    -0.03  -0.00  -0.02
    11   1     0.02   0.02   0.07    -0.11  -0.01  -0.04    -0.07  -0.00   0.01
    12   8     0.02  -0.08  -0.01     0.12  -0.02   0.03     0.01  -0.06  -0.00
    13   6    -0.03  -0.02  -0.01    -0.03  -0.02   0.02     0.05   0.06   0.02
    14   1    -0.02   0.10   0.03     0.01  -0.02  -0.01     0.06   0.02   0.01
    15   8     0.03   0.02  -0.03     0.15  -0.11   0.02     0.02  -0.01   0.01
    16   1    -0.06   0.16   0.06    -0.03  -0.09  -0.02    -0.02  -0.02  -0.01
    17   1    -0.07  -0.30   0.61     0.00  -0.10   0.33     0.00  -0.01   0.09
    18   1     0.00  -0.03   0.13    -0.01  -0.14  -0.29    -0.04  -0.04  -0.15
    19   1    -0.26  -0.02  -0.47    -0.20   0.02  -0.41    -0.01  -0.03  -0.10
    20   8    -0.01   0.01  -0.00     0.01  -0.00   0.02     0.09  -0.05  -0.00
    21   1     0.00  -0.05  -0.04    -0.00  -0.05  -0.00    -0.01   0.11   0.06
    22   1    -0.08  -0.05   0.01    -0.06  -0.04   0.03     0.09   0.11  -0.05
    23   1     0.16   0.05   0.00    -0.24   0.02  -0.38    -0.00  -0.00  -0.00
    24   1    -0.00   0.01   0.02     0.32  -0.31  -0.04    -0.63   0.67   0.18
                     16                     17                     18
                      A                      A                      A
 Frequencies --    411.4587               424.7510               453.6450
 Red. masses --      4.3155                 5.9645                 5.6014
 Frc consts  --      0.4305                 0.6340                 0.6792
 IR Inten    --     14.8554                 3.7084                 8.3335
 RamAct Fr= 1--      3.5405                 3.9818                 4.0249
  Dep-P Fr= 1--      0.6887                 0.5841                 0.0778
  Dep-U Fr= 1--      0.8157                 0.7374                 0.1444
 Alpha2 Fr= 1--      0.0038                 0.0124                 0.0744
 Beta2  Fr= 1--      0.4813                 0.4894                 0.0969
 AlphaG Fr= 1--      0.0021                 0.0015                -0.0275
 Gamma2 Fr= 1--     -0.2418                -0.1237                -0.1648
 Delta2 Fr= 1--     -0.0224                -0.0555                -0.0180
 Raman1 Fr= 1--      14.162                 15.927                 16.100
 ROA1   Fr= 1--     -23.932                -13.653                -16.398
 CID1   Fr= 1--      -1.690                 -0.857                 -1.019
 Raman2 Fr= 1--       5.776                  5.873                  1.162
 ROA2   Fr= 1--      -5.624                 -2.526                 -3.812
 CID2   Fr= 1--      -0.974                 -0.430                 -3.280
 Raman3 Fr= 1--      11.552                 11.745                  2.325
 ROA3   Fr= 1--     -23.932                -13.653                -16.398
 CID3   Fr= 1--      -2.072                 -1.162                 -7.054
 RC180  Fr= 1--       0.631                  0.475                 -0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.02  -0.00     0.09  -0.17   0.07     0.08  -0.11   0.04
     2   6    -0.06   0.08   0.11    -0.14  -0.07   0.12    -0.04  -0.03  -0.16
     3   6    -0.04  -0.15  -0.12     0.20   0.04  -0.01     0.03  -0.08   0.24
     4   6     0.10  -0.10  -0.14     0.10   0.09  -0.08     0.01   0.08   0.11
     5   8     0.09   0.02   0.03    -0.09   0.20  -0.02     0.01   0.13   0.05
     6   6     0.08   0.17   0.09    -0.15   0.06   0.07     0.06   0.06  -0.18
     7   8    -0.15  -0.06   0.04     0.03  -0.17  -0.06     0.08  -0.09  -0.06
     8   1    -0.20  -0.04   0.02     0.10  -0.29   0.04     0.36  -0.07  -0.01
     9   8    -0.05   0.06  -0.02    -0.15  -0.13  -0.04    -0.10  -0.00   0.07
    10   1    -0.13   0.17   0.12    -0.26  -0.07   0.13     0.03  -0.23  -0.19
    11   1    -0.05  -0.31  -0.12     0.29   0.02  -0.04     0.07   0.03   0.23
    12   8    -0.03  -0.11   0.05     0.19   0.09  -0.02    -0.14  -0.19  -0.06
    13   6     0.12  -0.05  -0.02     0.11   0.05  -0.00    -0.02   0.00  -0.05
    14   1     0.12  -0.22  -0.16     0.12   0.10  -0.07    -0.10   0.26   0.14
    15   8     0.10   0.16  -0.02    -0.14   0.01   0.00     0.12   0.20   0.06
    16   1     0.09   0.30   0.10    -0.22   0.14   0.09     0.17  -0.10  -0.20
    17   1    -0.12   0.01  -0.23     0.03  -0.22  -0.11     0.08  -0.09  -0.04
    18   1    -0.08   0.07  -0.03    -0.14  -0.09   0.09    -0.02  -0.02   0.14
    19   1    -0.14  -0.14  -0.00     0.02   0.09  -0.20     0.06  -0.12  -0.01
    20   8    -0.03   0.01   0.01    -0.01   0.02   0.01    -0.09   0.04  -0.05
    21   1     0.14  -0.05   0.01     0.09   0.10   0.09     0.05  -0.07  -0.09
    22   1     0.20  -0.07   0.05     0.21   0.09  -0.01    -0.13  -0.05  -0.04
    23   1    -0.01   0.22  -0.18     0.04   0.01   0.09    -0.22   0.10   0.03
    24   1     0.12  -0.17  -0.09     0.02  -0.05  -0.09     0.05  -0.11  -0.12
                     19                     20                     21
                      A                      A                      A
 Frequencies --    516.4103               566.7815               592.1665
 Red. masses --      5.3657                 3.2718                 3.9274
 Frc consts  --      0.8431                 0.6193                 0.8114
 IR Inten    --     42.5909                 7.3526                43.2774
 RamAct Fr= 1--     15.1039                 1.2642                 0.3912
  Dep-P Fr= 1--      0.0989                 0.2810                 0.6831
  Dep-U Fr= 1--      0.1799                 0.4387                 0.8117
 Alpha2 Fr= 1--      0.2652                 0.0137                 0.0005
 Beta2  Fr= 1--      0.4529                 0.0924                 0.0529
 AlphaG Fr= 1--      0.0178                 0.0070                 0.0001
 Gamma2 Fr= 1--      0.2413                 0.0966                 0.1507
 Delta2 Fr= 1--     -0.0440                 0.1311                 0.0168
 Raman1 Fr= 1--      60.416                  5.057                  1.565
 ROA1   Fr= 1--      21.752                 13.471                 15.009
 CID1   Fr= 1--       0.360                  2.664                  9.592
 Raman2 Fr= 1--       5.435                  1.109                  0.635
 ROA2   Fr= 1--       6.142                  1.270                  3.484
 CID2   Fr= 1--       1.130                  1.145                  5.486
 Raman3 Fr= 1--      10.871                  2.218                  1.270
 ROA3   Fr= 1--      21.752                 13.471                 15.009
 CID3   Fr= 1--       2.001                  6.073                 11.818
 RC180  Fr= 1--      -0.640                 -0.123                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.13  -0.06  -0.06    -0.08  -0.05   0.16
     2   6    -0.11  -0.03  -0.11    -0.04  -0.07   0.06     0.04  -0.18   0.03
     3   6     0.12  -0.00   0.05    -0.13   0.07  -0.00    -0.06  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.03   0.03  -0.14
     5   8     0.12  -0.11   0.03     0.18   0.00  -0.04    -0.05   0.18   0.06
     6   6     0.05  -0.14  -0.08     0.10  -0.06   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.23   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.13   0.15   0.13    -0.29  -0.13  -0.04    -0.29  -0.15   0.18
     9   8    -0.21   0.04   0.06    -0.02   0.07  -0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.03   0.07     0.03  -0.57  -0.02
    11   1     0.29  -0.02   0.02    -0.31   0.17   0.04     0.04  -0.23  -0.13
    12   8     0.02   0.07  -0.02     0.05  -0.05   0.00     0.02  -0.06   0.03
    13   6     0.20  -0.05  -0.06     0.03  -0.01  -0.01    -0.02   0.01   0.04
    14   1     0.04  -0.09  -0.03     0.05   0.26   0.06     0.06  -0.10  -0.16
    15   8    -0.07  -0.06   0.02    -0.12  -0.00  -0.02    -0.02   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.13  -0.04   0.07     0.05  -0.17  -0.17
    17   1    -0.12   0.05   0.03     0.08   0.15   0.11    -0.03   0.13   0.02
    18   1    -0.16  -0.02  -0.01    -0.16   0.12  -0.08    -0.07   0.14  -0.03
    19   1    -0.04   0.04  -0.02     0.16   0.05  -0.11     0.01  -0.05  -0.01
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.03   0.04
    21   1     0.22  -0.05  -0.02     0.30  -0.25  -0.12     0.01  -0.01   0.05
    22   1     0.27  -0.07   0.01    -0.31  -0.17   0.04    -0.03  -0.00   0.05
    23   1    -0.15  -0.16   0.14    -0.08  -0.08   0.13    -0.16  -0.10   0.18
    24   1    -0.01  -0.09  -0.18     0.08  -0.13  -0.11     0.03   0.02   0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    629.2083               717.3534               908.9100
 Red. masses --      5.2566                 3.9746                 3.0844
 Frc consts  --      1.2262                 1.2051                 1.5013
 IR Inten    --     48.1941                 4.4268                55.7140
 RamAct Fr= 1--      0.0324                 0.5500                 5.8911
  Dep-P Fr= 1--      0.5566                 0.3924                 0.3675
  Dep-U Fr= 1--      0.7151                 0.5636                 0.5374
 Alpha2 Fr= 1--      0.0001                 0.0042                 0.0488
 Beta2  Fr= 1--      0.0039                 0.0517                 0.5277
 AlphaG Fr= 1--      0.0000                 0.0049                -0.0402
 Gamma2 Fr= 1--      0.0388                 0.1391                -0.3901
 Delta2 Fr= 1--      0.0348                 0.0423                -0.9922
 Raman1 Fr= 1--       0.130                  2.200                 23.564
 ROA1   Fr= 1--       4.833                 14.702                -69.202
 CID1   Fr= 1--      37.275                  6.683                 -2.937
 Raman2 Fr= 1--       0.046                  0.620                  6.332
 ROA2   Fr= 1--       0.652                  2.999                 -1.425
 CID2   Fr= 1--      14.065                  4.837                 -0.225
 Raman3 Fr= 1--       0.093                  1.240                 12.664
 ROA3   Fr= 1--       4.833                 14.702                -69.202
 CID3   Fr= 1--      52.125                 11.857                 -5.464
 RC180  Fr= 1--       0.430                  0.127                  0.075
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.10  -0.09    -0.12  -0.03  -0.04    -0.01  -0.03  -0.05
     2   6     0.07   0.11  -0.06     0.01  -0.06   0.05    -0.01  -0.02   0.02
     3   6    -0.01  -0.08   0.07    -0.07   0.07   0.02     0.07  -0.06  -0.06
     4   6     0.11   0.11  -0.06     0.11  -0.09   0.19     0.15  -0.09   0.18
     5   8    -0.04   0.21   0.00    -0.16  -0.05   0.02     0.04   0.12  -0.06
     6   6    -0.10  -0.03   0.09    -0.12   0.05  -0.10     0.05  -0.00   0.01
     7   8    -0.05   0.06   0.05     0.01   0.01   0.01    -0.03   0.06   0.04
     8   1     0.20   0.25  -0.09    -0.32  -0.09  -0.01    -0.12   0.01  -0.02
     9   8     0.11  -0.04  -0.00     0.11  -0.01  -0.02    -0.00   0.00  -0.00
    10   1     0.18   0.35  -0.03     0.08  -0.18   0.02    -0.00   0.02   0.02
    11   1    -0.06  -0.17   0.08    -0.31   0.33   0.08    -0.05   0.07  -0.02
    12   8    -0.14  -0.19   0.01     0.03   0.03   0.00    -0.00  -0.00   0.00
    13   6     0.19  -0.01  -0.03     0.24  -0.06  -0.07    -0.15  -0.07   0.08
    14   1     0.12   0.19  -0.05     0.05  -0.05   0.20     0.58  -0.03   0.13
    15   8    -0.14  -0.20  -0.00     0.07   0.03   0.03    -0.04  -0.03   0.00
    16   1    -0.19  -0.09   0.10    -0.20   0.08  -0.08     0.03  -0.02   0.02
    17   1    -0.05  -0.02  -0.00     0.02   0.16   0.10    -0.03   0.01  -0.00
    18   1     0.22  -0.08   0.04    -0.02   0.07  -0.04    -0.05   0.03  -0.02
    19   1    -0.06  -0.14  -0.03     0.08   0.07  -0.04    -0.14  -0.11   0.12
    20   8    -0.03   0.01   0.00    -0.09   0.05  -0.07    -0.04   0.04  -0.15
    21   1     0.32  -0.11  -0.01     0.16   0.02  -0.06    -0.51   0.20   0.08
    22   1     0.11  -0.08   0.03     0.36  -0.03  -0.06     0.06   0.15  -0.15
    23   1     0.08  -0.10  -0.05     0.03   0.06  -0.03    -0.05  -0.07   0.05
    24   1    -0.01  -0.06  -0.15    -0.09  -0.03  -0.27     0.07   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --    921.7400              1010.5218              1019.4174
 Red. masses --      2.0134                 3.9705                 3.9565
 Frc consts  --      1.0079                 2.3888                 2.4225
 IR Inten    --      9.0096               189.5161                86.1098
 RamAct Fr= 1--      2.7758                 0.7323                 1.7434
  Dep-P Fr= 1--      0.2598                 0.2243                 0.3603
  Dep-U Fr= 1--      0.4124                 0.3664                 0.5297
 Alpha2 Fr= 1--      0.0320                 0.0093                 0.0148
 Beta2  Fr= 1--      0.1908                 0.0447                 0.1539
 AlphaG Fr= 1--     -0.0434                 0.0140                -0.0311
 Gamma2 Fr= 1--      0.0580                 0.5524                 0.7828
 Delta2 Fr= 1--      0.5128                 0.8459                 0.8430
 Raman1 Fr= 1--      11.103                  2.929                  6.974
 ROA1   Fr= 1--      21.976                 80.100                102.121
 CID1   Fr= 1--       1.979                 27.344                 14.644
 Raman2 Fr= 1--       2.290                  0.537                  1.847
 ROA2   Fr= 1--      -2.711                  6.491                 12.042
 CID2   Fr= 1--      -1.184                 12.096                  6.519
 Raman3 Fr= 1--       4.580                  1.073                  3.694
 ROA3   Fr= 1--      21.976                 80.100                102.121
 CID3   Fr= 1--       4.799                 74.632                 27.644
 RC180  Fr= 1--      -0.175                 -0.267                  0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02     0.07   0.09   0.20     0.23   0.04  -0.16
     2   6    -0.00  -0.01  -0.01     0.13   0.16   0.08     0.11  -0.16   0.16
     3   6    -0.02   0.07   0.11    -0.12   0.15  -0.09     0.01   0.10  -0.11
     4   6    -0.06  -0.07  -0.08     0.03  -0.01  -0.01    -0.07  -0.02   0.06
     5   8     0.01   0.08  -0.04    -0.03  -0.01   0.02     0.00   0.04  -0.02
     6   6     0.09  -0.02   0.04     0.08   0.01  -0.13    -0.02  -0.09   0.00
     7   8     0.02  -0.03  -0.01     0.05  -0.11  -0.07    -0.01   0.09   0.08
     8   1     0.00  -0.01  -0.04    -0.11  -0.11   0.19     0.08   0.11  -0.11
     9   8     0.00   0.01   0.01    -0.12   0.02  -0.04    -0.13  -0.01  -0.03
    10   1     0.00   0.06   0.00    -0.07  -0.05   0.07     0.05  -0.14   0.16
    11   1    -0.06   0.13   0.12    -0.15   0.10  -0.08    -0.30   0.17  -0.03
    12   8    -0.00   0.01  -0.00    -0.05  -0.07   0.07    -0.07  -0.08   0.05
    13   6     0.02  -0.15  -0.06     0.02  -0.05   0.07     0.04  -0.01  -0.07
    14   1    -0.25   0.09  -0.05     0.22  -0.22  -0.05    -0.21   0.01   0.06
    15   8    -0.02  -0.00  -0.01    -0.02  -0.08   0.03     0.03   0.07  -0.03
    16   1     0.10  -0.02   0.04     0.05  -0.05  -0.13    -0.05   0.11   0.02
    17   1     0.02   0.12   0.09     0.05  -0.26  -0.19    -0.03  -0.41  -0.30
    18   1    -0.04   0.03  -0.01     0.37  -0.21   0.17    -0.36   0.10  -0.13
    19   1     0.14   0.12  -0.12     0.22   0.17  -0.21    -0.01  -0.04   0.02
    20   8     0.01   0.01   0.05    -0.02   0.02  -0.08     0.00  -0.00   0.06
    21   1    -0.36   0.23   0.24    -0.03   0.01   0.11    -0.00   0.02  -0.05
    22   1     0.61   0.11  -0.13     0.11   0.02  -0.00     0.09  -0.01  -0.03
    23   1    -0.04  -0.03   0.03    -0.11  -0.16   0.11    -0.14  -0.11   0.16
    24   1     0.07   0.04   0.26     0.04   0.03   0.07    -0.03  -0.02  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.0673              1061.3651              1069.0915
 Red. masses --      2.9347                 4.4285                 4.8706
 Frc consts  --      1.8596                 2.9392                 3.2799
 IR Inten    --     59.7211                49.4609               283.5500
 RamAct Fr= 1--      1.0457                12.7898                 2.9273
  Dep-P Fr= 1--      0.7495                 0.1810                 0.5564
  Dep-U Fr= 1--      0.8568                 0.3066                 0.7150
 Alpha2 Fr= 1--      0.0000                 0.1826                 0.0108
 Beta2  Fr= 1--      0.1493                 0.6535                 0.3488
 AlphaG Fr= 1--      0.0007                 0.1109                -0.0161
 Gamma2 Fr= 1--      1.2317                -1.1637                -2.0794
 Delta2 Fr= 1--      0.8040                -0.7988                -0.2414
 Raman1 Fr= 1--       4.183                 51.159                 11.709
 ROA1   Fr= 1--     143.976               -137.279               -207.347
 CID1   Fr= 1--      34.420                 -2.683                -17.708
 Raman2 Fr= 1--       1.792                  7.842                  4.186
 ROA2   Fr= 1--      23.130                -21.538                -47.975
 CID2   Fr= 1--      12.908                 -2.746                -11.461
 Raman3 Fr= 1--       3.584                 15.685                  8.372
 ROA3   Fr= 1--     143.976               -137.279               -207.347
 CID3   Fr= 1--      40.173                 -8.752                -24.768
 RC180  Fr= 1--       0.714                 -0.387                  0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00   0.02     0.07  -0.02   0.13     0.05   0.07   0.11
     2   6     0.01   0.14   0.09     0.00  -0.10  -0.21    -0.07   0.00  -0.08
     3   6     0.04  -0.12  -0.03    -0.11  -0.02  -0.11    -0.09   0.05  -0.05
     4   6    -0.10  -0.07   0.14    -0.11  -0.07   0.12    -0.02  -0.17   0.07
     5   8     0.02   0.10  -0.06    -0.12   0.08  -0.12     0.30   0.09  -0.01
     6   6     0.09  -0.04  -0.11     0.22   0.07   0.23    -0.30   0.07  -0.00
     7   8    -0.01  -0.03  -0.01     0.02   0.01  -0.02     0.03  -0.04  -0.04
     8   1    -0.21  -0.11   0.03     0.12   0.11   0.13     0.05   0.10   0.11
     9   8    -0.02   0.01  -0.02    -0.00   0.01   0.04     0.06  -0.02   0.02
    10   1    -0.03   0.23   0.11    -0.12  -0.23  -0.21    -0.08  -0.32  -0.12
    11   1     0.06   0.00  -0.03    -0.09   0.04  -0.10    -0.17   0.13  -0.03
    12   8     0.05   0.05  -0.03     0.03   0.02   0.00    -0.01  -0.00   0.03
    13   6     0.04   0.05  -0.13     0.11   0.02   0.03    -0.05  -0.00  -0.13
    14   1    -0.29   0.05   0.16    -0.10  -0.17   0.11     0.11  -0.18   0.04
    15   8    -0.01  -0.05  -0.00    -0.05  -0.01   0.01    -0.02  -0.01   0.02
    16   1     0.11  -0.06  -0.11     0.16  -0.02   0.22    -0.16  -0.08  -0.01
    17   1    -0.01   0.05   0.04     0.01  -0.23  -0.16     0.02  -0.16  -0.10
    18   1     0.22  -0.10   0.09    -0.00   0.00   0.02     0.03  -0.02  -0.02
    19   1    -0.27  -0.21   0.24    -0.06  -0.04   0.06     0.13   0.12  -0.12
    20   8     0.01  -0.02   0.12    -0.01   0.00  -0.02     0.01  -0.01   0.10
    21   1     0.01   0.01  -0.27     0.11  -0.05  -0.18    -0.23   0.08  -0.26
    22   1    -0.08  -0.07  -0.01    -0.03  -0.09   0.11    -0.00  -0.04  -0.03
    23   1    -0.22  -0.28   0.25     0.21   0.24  -0.25     0.25   0.24  -0.23
    24   1    -0.12  -0.04  -0.22    -0.11  -0.01  -0.27    -0.06  -0.06  -0.16
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.9142              1095.7069              1106.6933
 Red. masses --      3.2379                 2.0236                 2.5428
 Frc consts  --      2.2289                 1.4314                 1.8349
 IR Inten    --    265.7412               180.2779               127.1125
 RamAct Fr= 1--      4.4085                 0.9485                 9.4563
  Dep-P Fr= 1--      0.6478                 0.1476                 0.7461
  Dep-U Fr= 1--      0.7862                 0.2572                 0.8546
 Alpha2 Fr= 1--      0.0081                 0.0148                 0.0006
 Beta2  Fr= 1--      0.5777                 0.0407                 1.3469
 AlphaG Fr= 1--      0.0002                -0.0039                -0.0018
 Gamma2 Fr= 1--      0.4635                 0.3719                -1.5893
 Delta2 Fr= 1--     -0.6227                -0.0750                -1.0837
 Raman1 Fr= 1--      17.634                  3.794                 37.825
 ROA1   Fr= 1--      24.574                 33.307               -187.255
 CID1   Fr= 1--       1.394                  8.779                 -4.951
 Raman2 Fr= 1--       6.932                  0.488                 16.163
 ROA2   Fr= 1--      16.107                  9.526                -29.474
 CID2   Fr= 1--       2.323                 19.522                 -1.824
 Raman3 Fr= 1--      13.864                  0.976                 32.326
 ROA3   Fr= 1--      24.574                 33.307               -187.255
 CID3   Fr= 1--       1.772                 34.128                 -5.793
 RC180  Fr= 1--       0.572                 -0.486                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09  -0.02     0.05  -0.08   0.04    -0.07   0.25   0.01
     2   6    -0.11  -0.00   0.10    -0.01   0.05  -0.03     0.05  -0.08   0.04
     3   6    -0.16  -0.09   0.11    -0.06  -0.09  -0.08     0.08  -0.06  -0.02
     4   6    -0.08  -0.11  -0.03    -0.08   0.11   0.05    -0.05   0.04   0.05
     5   8     0.04   0.08  -0.02     0.06  -0.02   0.01     0.03  -0.01   0.00
     6   6    -0.02  -0.09  -0.04    -0.09  -0.04   0.00    -0.00   0.08  -0.02
     7   8     0.02  -0.03  -0.00    -0.00   0.04   0.02     0.02  -0.11  -0.07
     8   1     0.41   0.18  -0.08    -0.07  -0.08   0.07    -0.07   0.29   0.01
     9   8     0.06  -0.03   0.02     0.01   0.00   0.00    -0.02  -0.02  -0.00
    10   1    -0.10   0.19   0.12    -0.07   0.05  -0.03     0.13  -0.35  -0.00
    11   1    -0.12  -0.17   0.09    -0.13  -0.01  -0.06     0.21  -0.11  -0.04
    12   8     0.04   0.09  -0.06     0.04   0.03  -0.02     0.00  -0.01  -0.01
    13   6     0.06   0.02   0.17     0.06  -0.09   0.04     0.03  -0.03   0.03
    14   1     0.07  -0.19  -0.05    -0.31   0.31   0.09    -0.20   0.11   0.07
    15   8     0.03   0.04  -0.04     0.02   0.03  -0.02    -0.03  -0.03   0.04
    16   1     0.05  -0.01  -0.04    -0.05  -0.10  -0.00    -0.01   0.10  -0.01
    17   1     0.02  -0.14  -0.09    -0.01  -0.20  -0.14     0.03   0.08   0.06
    18   1    -0.20   0.09  -0.10     0.23  -0.10   0.08    -0.40   0.16  -0.15
    19   1     0.12   0.15  -0.10    -0.16  -0.13   0.15    -0.27  -0.23   0.22
    20   8    -0.01   0.01  -0.12    -0.02   0.02  -0.05    -0.01   0.01  -0.04
    21   1     0.17  -0.11   0.01     0.12   0.00   0.45     0.10  -0.02   0.22
    22   1    -0.05  -0.11   0.26     0.18   0.11  -0.20     0.05   0.04  -0.07
    23   1    -0.23  -0.24   0.26     0.05   0.05  -0.03     0.07   0.08  -0.09
    24   1    -0.03   0.02  -0.14     0.14   0.06   0.37     0.06   0.03   0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1113.9386              1122.4853              1149.0744
 Red. masses --      3.3548                 4.1413                 3.6982
 Frc consts  --      2.4526                 3.0743                 2.8770
 IR Inten    --     71.2725                52.1620                30.0311
 RamAct Fr= 1--     12.1043                11.2533                 4.9285
  Dep-P Fr= 1--      0.7468                 0.4859                 0.6214
  Dep-U Fr= 1--      0.8551                 0.6540                 0.7665
 Alpha2 Fr= 1--      0.0007                 0.0593                 0.0116
 Beta2  Fr= 1--      1.7250                 1.2266                 0.6296
 AlphaG Fr= 1--     -0.0059                 0.0102                 0.0061
 Gamma2 Fr= 1--      1.0370                -2.3863                 2.9574
 Delta2 Fr= 1--     -0.3351                -1.9499                 2.2464
 Raman1 Fr= 1--      48.417                 45.013                 19.714
 ROA1   Fr= 1--      88.824               -291.483                355.795
 CID1   Fr= 1--       1.835                 -6.476                 18.048
 Raman2 Fr= 1--      20.700                 14.719                  7.556
 ROA2   Fr= 1--      27.568                -41.673                 53.006
 CID2   Fr= 1--       1.332                 -2.831                  7.015
 Raman3 Fr= 1--      41.400                 29.439                 15.111
 ROA3   Fr= 1--      88.824               -291.483                355.795
 CID3   Fr= 1--       2.146                 -9.901                 23.545
 RC180  Fr= 1--       0.710                  0.308                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06   0.01    -0.04   0.02   0.04     0.04  -0.14  -0.12
     2   6     0.26  -0.02  -0.03    -0.19   0.05  -0.04    -0.07   0.02   0.02
     3   6     0.05   0.01   0.06     0.20   0.21  -0.14     0.08   0.07   0.01
     4   6    -0.09  -0.10  -0.01    -0.10  -0.00   0.05    -0.11  -0.08  -0.03
     5   8     0.06   0.07  -0.02     0.01   0.01  -0.04     0.09   0.01  -0.01
     6   6    -0.12  -0.09   0.08    -0.03  -0.14   0.05     0.06   0.23  -0.13
     7   8    -0.02   0.00  -0.01    -0.01  -0.04  -0.03    -0.02   0.06   0.06
     8   1    -0.18  -0.22   0.01    -0.04   0.05   0.03    -0.04  -0.27  -0.12
     9   8    -0.13   0.04  -0.05     0.12  -0.02   0.04     0.02  -0.00   0.00
    10   1     0.34   0.05  -0.04    -0.28   0.29   0.02    -0.03  -0.27  -0.03
    11   1     0.15   0.01   0.05     0.43   0.23  -0.17    -0.05   0.21   0.05
    12   8     0.00   0.01  -0.00    -0.08  -0.13   0.10    -0.02  -0.02   0.02
    13   6     0.04   0.03   0.12     0.05  -0.01   0.08     0.03   0.03   0.12
    14   1    -0.08  -0.10  -0.02    -0.15  -0.14   0.04    -0.49  -0.17  -0.00
    15   8     0.02   0.06  -0.04     0.05   0.08  -0.06    -0.08  -0.14   0.10
    16   1    -0.15  -0.15   0.09     0.06  -0.18   0.02     0.13   0.28  -0.13
    17   1    -0.01   0.43   0.28     0.00   0.20   0.17    -0.03   0.05   0.04
    18   1     0.18  -0.11   0.08     0.03   0.02  -0.01     0.03   0.00   0.03
    19   1    -0.02  -0.02   0.03    -0.07  -0.12   0.06     0.01  -0.01   0.01
    20   8     0.00   0.00  -0.08    -0.00   0.01  -0.06     0.00  -0.00  -0.08
    21   1     0.11  -0.08  -0.04     0.10  -0.04   0.08     0.23  -0.12   0.11
    22   1    -0.03  -0.10   0.27     0.07  -0.03   0.11    -0.01  -0.08   0.25
    23   1     0.14   0.16  -0.12    -0.16  -0.16   0.19     0.09   0.06  -0.13
    24   1    -0.04   0.01  -0.17    -0.01   0.01  -0.08     0.03   0.03   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1207.3414              1236.8484              1242.7083
 Red. masses --      1.2593                 1.1800                 1.1714
 Frc consts  --      1.0815                 1.0636                 1.0658
 IR Inten    --      9.6961                65.3153                30.5379
 RamAct Fr= 1--      2.8537                 2.8634                 2.3740
  Dep-P Fr= 1--      0.0800                 0.6496                 0.7294
  Dep-U Fr= 1--      0.1482                 0.7876                 0.8435
 Alpha2 Fr= 1--      0.0525                 0.0052                 0.0008
 Beta2  Fr= 1--      0.0705                 0.3759                 0.3338
 AlphaG Fr= 1--     -0.0064                -0.0208                 0.0056
 Gamma2 Fr= 1--     -0.4654                -0.7249                 1.8971
 Delta2 Fr= 1--     -0.2162                -1.5079                 1.3097
 Raman1 Fr= 1--      11.415                 11.454                  9.496
 ROA1   Fr= 1--     -51.598               -117.840                224.031
 CID1   Fr= 1--      -4.520                -10.288                 23.592
 Raman2 Fr= 1--       0.846                  4.510                  4.005
 ROA2   Fr= 1--      -9.440                 -5.334                 35.052
 CID2   Fr= 1--     -11.163                 -1.183                  8.752
 Raman3 Fr= 1--       1.691                  9.021                  8.010
 ROA3   Fr= 1--     -51.598               -117.840                224.031
 CID3   Fr= 1--     -30.509                -13.063                 27.969
 RC180  Fr= 1--      -0.704                  0.575                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.03    -0.03  -0.05   0.06     0.01  -0.01   0.03
     2   6     0.03  -0.03  -0.01     0.01   0.02  -0.02     0.01  -0.04  -0.02
     3   6    -0.05   0.02  -0.05    -0.00   0.00  -0.02    -0.05   0.00  -0.03
     4   6    -0.02   0.01   0.07    -0.01   0.02  -0.01     0.01   0.02  -0.04
     5   8     0.02   0.01  -0.01     0.01  -0.01   0.01     0.01  -0.01   0.03
     6   6     0.00   0.03  -0.03    -0.00   0.01  -0.04    -0.01   0.02   0.00
     7   8    -0.01   0.01  -0.00     0.02   0.02  -0.00    -0.02  -0.01  -0.01
     8   1     0.44   0.03  -0.04    -0.12   0.11   0.10     0.40   0.07  -0.03
     9   8    -0.01  -0.00  -0.00    -0.00  -0.03   0.00    -0.01   0.01  -0.00
    10   1     0.23   0.31   0.00     0.40   0.48  -0.01    -0.06  -0.02  -0.01
    11   1     0.27  -0.22  -0.12     0.05   0.14  -0.02    -0.11   0.38  -0.01
    12   8    -0.00   0.00   0.02     0.01  -0.00   0.01     0.03  -0.01  -0.01
    13   6     0.02  -0.01  -0.05    -0.00  -0.02   0.03    -0.01  -0.02   0.02
    14   1     0.03  -0.29   0.03    -0.05   0.18   0.00     0.05   0.18  -0.03
    15   8    -0.00  -0.02   0.01    -0.01  -0.01   0.02     0.01  -0.01  -0.00
    16   1    -0.10   0.24   0.00     0.04  -0.02  -0.05    -0.07   0.35   0.03
    17   1    -0.01   0.23   0.16     0.01  -0.25  -0.17    -0.01   0.25   0.18
    18   1    -0.17   0.07  -0.06    -0.43   0.17  -0.17     0.13  -0.06   0.05
    19   1     0.12   0.11  -0.11    -0.02  -0.02   0.02    -0.26  -0.24   0.23
    20   8    -0.01   0.00   0.01     0.01   0.00  -0.01     0.01   0.00   0.00
    21   1     0.13  -0.02   0.16    -0.16   0.05  -0.13    -0.17   0.05  -0.13
    22   1    -0.11   0.08  -0.25     0.14  -0.06   0.18     0.14  -0.05   0.14
    23   1    -0.07  -0.08   0.08     0.05   0.06  -0.06    -0.14  -0.17   0.16
    24   1     0.07   0.01   0.22    -0.07  -0.01  -0.21    -0.06  -0.01  -0.19
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1249.6593              1253.8131              1328.2494
 Red. masses --      1.3060                 1.2018                 1.2535
 Frc consts  --      1.2016                 1.1131                 1.3029
 IR Inten    --     58.3854                 4.6390                16.7894
 RamAct Fr= 1--      2.3115                 8.4780                 4.4869
  Dep-P Fr= 1--      0.7477                 0.7458                 0.4242
  Dep-U Fr= 1--      0.8557                 0.8544                 0.5957
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0304
 Beta2  Fr= 1--      0.3296                 1.2073                 0.4455
 AlphaG Fr= 1--     -0.0013                -0.0049                -0.0374
 Gamma2 Fr= 1--     -0.5088                 0.9754                 1.6851
 Delta2 Fr= 1--     -0.1073                 0.4148                 1.2770
 Raman1 Fr= 1--       9.246                 33.912                 17.948
 ROA1   Fr= 1--     -52.281                106.916                202.636
 CID1   Fr= 1--      -5.654                  3.153                 11.290
 Raman2 Fr= 1--       3.956                 14.487                  5.345
 ROA2   Fr= 1--     -11.354                 20.092                 30.227
 CID2   Fr= 1--      -2.870                  1.387                  5.655
 Raman3 Fr= 1--       7.911                 28.974                 10.691
 ROA3   Fr= 1--     -52.281                106.916                202.636
 CID3   Fr= 1--      -6.608                  3.690                 18.954
 RC180  Fr= 1--       0.711                  0.709                  0.191
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00   0.04     0.01  -0.00   0.02     0.03  -0.00   0.02
     2   6     0.02  -0.04  -0.07    -0.01   0.04   0.04    -0.01   0.05  -0.01
     3   6     0.03  -0.00   0.04    -0.02   0.01   0.00     0.02  -0.03  -0.05
     4   6     0.04  -0.07  -0.03     0.03  -0.05  -0.04    -0.00  -0.07   0.00
     5   8     0.00   0.02  -0.00    -0.02   0.02  -0.01    -0.02  -0.00  -0.00
     6   6    -0.01   0.01   0.03     0.02  -0.03  -0.01    -0.03   0.02   0.05
     7   8     0.02   0.00  -0.02    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01
     8   1    -0.36   0.18   0.13     0.24  -0.06  -0.03     0.03  -0.12   0.00
     9   8    -0.00   0.00   0.01     0.00  -0.02  -0.00    -0.00  -0.02  -0.00
    10   1    -0.01   0.19  -0.04     0.12   0.04   0.03     0.28  -0.24  -0.08
    11   1    -0.17   0.27   0.10    -0.15   0.50   0.05    -0.12  -0.00  -0.03
    12   8     0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.02   0.01   0.02
    13   6    -0.02   0.06  -0.02    -0.01   0.04  -0.03     0.00   0.03  -0.01
    14   1    -0.12  -0.10  -0.02     0.07  -0.10  -0.05     0.06   0.59   0.04
    15   8     0.02  -0.01  -0.02    -0.01   0.01   0.00     0.02  -0.01  -0.01
    16   1    -0.16   0.39   0.07     0.07  -0.40  -0.04     0.39   0.03  -0.00
    17   1     0.01  -0.20  -0.14    -0.00   0.10   0.07    -0.01   0.19   0.13
    18   1     0.02  -0.01   0.00    -0.17   0.07  -0.06    -0.16   0.06  -0.06
    19   1    -0.04  -0.04   0.04    -0.20  -0.18   0.18     0.21   0.19  -0.17
    20   8    -0.01  -0.01  -0.00    -0.01  -0.01   0.01    -0.01  -0.01  -0.00
    21   1     0.25  -0.09   0.13     0.22  -0.08   0.12     0.11  -0.04   0.02
    22   1    -0.16   0.03  -0.07    -0.15   0.05  -0.13    -0.04  -0.01   0.02
    23   1    -0.21  -0.24   0.23     0.17   0.20  -0.19    -0.15  -0.17   0.15
    24   1     0.10   0.01   0.29     0.09   0.01   0.25     0.04   0.00   0.12
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1332.1237              1345.5041              1349.5431
 Red. masses --      1.3042                 1.2811                 1.2768
 Frc consts  --      1.3636                 1.3665                 1.3701
 IR Inten    --     80.0251                21.6122                52.9711
 RamAct Fr= 1--      2.6580                 4.4129                 2.6819
  Dep-P Fr= 1--      0.4822                 0.7082                 0.6305
  Dep-U Fr= 1--      0.6507                 0.8292                 0.7734
 Alpha2 Fr= 1--      0.0142                 0.0032                 0.0058
 Beta2  Fr= 1--      0.2882                 0.6098                 0.3457
 AlphaG Fr= 1--     -0.0086                 0.0075                 0.0063
 Gamma2 Fr= 1--     -0.1678                -0.1252                -1.3317
 Delta2 Fr= 1--     -1.2077                -1.2301                -0.0534
 Raman1 Fr= 1--      10.632                 17.652                 10.728
 ROA1   Fr= 1--     -54.755                -51.379               -129.555
 CID1   Fr= 1--      -5.150                 -2.911                -12.077
 Raman2 Fr= 1--       3.459                  7.318                  4.148
 ROA2   Fr= 1--       5.635                  6.836                -31.535
 CID2   Fr= 1--       1.629                  0.934                 -7.602
 Raman3 Fr= 1--       6.918                 14.636                  8.297
 ROA3   Fr= 1--     -54.755                -51.379               -129.555
 CID3   Fr= 1--      -7.915                 -3.510                -15.615
 RC180  Fr= 1--       0.301                  0.658                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.03     0.05   0.02   0.01    -0.08  -0.02  -0.04
     2   6    -0.01   0.02  -0.02     0.03  -0.09  -0.01    -0.01  -0.05   0.05
     3   6    -0.03   0.04   0.06     0.01   0.01  -0.01    -0.03  -0.01  -0.01
     4   6    -0.10   0.01  -0.02    -0.05  -0.05  -0.01    -0.00  -0.05   0.00
     5   8     0.00  -0.01   0.00    -0.00   0.00   0.02    -0.00   0.01   0.01
     6   6    -0.03   0.02   0.03     0.00  -0.00  -0.06     0.00  -0.01  -0.01
     7   8     0.01   0.01   0.02    -0.01  -0.01  -0.01     0.03   0.01   0.00
     8   1    -0.17  -0.21  -0.03    -0.15  -0.02   0.04     0.18   0.39  -0.03
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.02    -0.01   0.03  -0.02
    10   1     0.15  -0.10  -0.05    -0.50   0.51   0.12     0.07  -0.04   0.04
    11   1     0.27   0.06   0.00    -0.10  -0.11   0.01     0.51   0.20  -0.12
    12   8     0.02  -0.01  -0.01    -0.01   0.00  -0.00    -0.00  -0.00   0.03
    13   6     0.04  -0.04  -0.01     0.02   0.01  -0.01    -0.00   0.03  -0.02
    14   1     0.59  -0.09  -0.11     0.28   0.36  -0.01     0.08   0.32   0.02
    15   8     0.01  -0.01  -0.00    -0.02  -0.00   0.04    -0.01   0.00   0.01
    16   1     0.31   0.12  -0.01     0.19   0.10  -0.08     0.10   0.01  -0.02
    17   1     0.01  -0.17  -0.11    -0.00   0.17   0.12     0.01  -0.27  -0.18
    18   1    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.35  -0.14   0.13
    19   1    -0.18  -0.17   0.16     0.02   0.02  -0.01     0.07   0.06  -0.06
    20   8     0.00   0.02   0.02    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    21   1     0.05  -0.01   0.12     0.08  -0.03   0.02     0.08  -0.03  -0.03
    22   1    -0.11   0.09  -0.30    -0.05   0.02  -0.06     0.04  -0.04   0.11
    23   1    -0.08  -0.10   0.08     0.16   0.18  -0.16     0.08   0.09  -0.08
    24   1    -0.05  -0.00  -0.17     0.01   0.00   0.03     0.05   0.01   0.16
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.2942              1384.3880              1396.2062
 Red. masses --      1.2087                 1.2346                 1.3619
 Frc consts  --      1.3314                 1.3941                 1.5642
 IR Inten    --      3.3020                17.7052                 9.4326
 RamAct Fr= 1--      0.5728                 3.5174                 4.7172
  Dep-P Fr= 1--      0.7197                 0.7483                 0.5775
  Dep-U Fr= 1--      0.8370                 0.8560                 0.7321
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0153
 Beta2  Fr= 1--      0.0799                 0.5018                 0.5756
 AlphaG Fr= 1--      0.0011                -0.0027                -0.0261
 Gamma2 Fr= 1--     -0.2125                 0.2105                 1.0116
 Delta2 Fr= 1--     -0.4144                 1.5141                -0.2656
 Raman1 Fr= 1--       2.291                 14.070                 18.869
 ROA1   Fr= 1--     -33.657                 68.660                 88.611
 CID1   Fr= 1--     -14.689                  4.880                  4.696
 Raman2 Fr= 1--       0.959                  6.022                  6.907
 ROA2   Fr= 1--      -1.784                 -7.060                 26.402
 CID2   Fr= 1--      -1.861                 -1.172                  3.822
 Raman3 Fr= 1--       1.918                 12.044                 13.815
 ROA3   Fr= 1--     -33.657                 68.660                 88.611
 CID3   Fr= 1--     -17.550                  5.701                  6.414
 RC180  Fr= 1--       0.674                  0.712                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.02     0.02  -0.01   0.01     0.00   0.06  -0.01
     2   6    -0.03  -0.03   0.04    -0.02  -0.02   0.01     0.03  -0.04  -0.01
     3   6     0.07  -0.01  -0.00    -0.01   0.06   0.02    -0.05  -0.03   0.00
     4   6    -0.01   0.02  -0.01    -0.00   0.04   0.03     0.11   0.02  -0.00
     5   8    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02    -0.02   0.01  -0.04
     6   6    -0.03  -0.00   0.00    -0.03   0.01   0.01    -0.08  -0.00   0.02
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.01     0.00   0.00   0.01
     8   1     0.03   0.55   0.11    -0.05   0.05   0.04    -0.01  -0.34  -0.06
     9   8    -0.01   0.02  -0.02    -0.00   0.01  -0.01    -0.00   0.00   0.00
    10   1     0.23   0.02   0.03     0.17   0.06  -0.00    -0.12   0.17   0.03
    11   1    -0.40  -0.05   0.10    -0.14  -0.34   0.04     0.26   0.17  -0.06
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03     0.00  -0.00   0.01
    13   6     0.00  -0.03   0.03    -0.02   0.05  -0.06    -0.03  -0.01   0.02
    14   1    -0.05  -0.18  -0.02     0.15  -0.20  -0.01    -0.45  -0.21   0.04
    15   8    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.38   0.01  -0.06     0.35   0.01  -0.04     0.65   0.07  -0.09
    17   1    -0.00   0.08   0.05    -0.00   0.02   0.02     0.00  -0.03  -0.02
    18   1     0.21  -0.08   0.08     0.08  -0.03   0.03     0.04  -0.02   0.01
    19   1     0.05   0.04  -0.03    -0.18  -0.16   0.15     0.01   0.01  -0.01
    20   8     0.01   0.02   0.01    -0.02  -0.03  -0.02     0.01   0.01   0.00
    21   1    -0.02   0.01   0.13     0.08  -0.05  -0.15    -0.07   0.03   0.04
    22   1    -0.16   0.08  -0.24     0.40  -0.13   0.44    -0.06   0.01  -0.03
    23   1     0.04   0.05  -0.05    -0.01  -0.01   0.01    -0.01  -0.00   0.00
    24   1    -0.08  -0.01  -0.25     0.12   0.01   0.36    -0.02  -0.01  -0.08
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1420.8201              1427.9285              1441.3817
 Red. masses --      1.4142                 1.5384                 1.4007
 Frc consts  --      1.6820                 1.8482                 1.7145
 IR Inten    --     41.8155                13.5135                 1.3595
 RamAct Fr= 1--      5.3463                 7.7402                 3.0885
  Dep-P Fr= 1--      0.5807                 0.5345                 0.5436
  Dep-U Fr= 1--      0.7347                 0.6966                 0.7044
 Alpha2 Fr= 1--      0.0170                 0.0322                 0.0122
 Beta2  Fr= 1--      0.6547                 0.8987                 0.3626
 AlphaG Fr= 1--     -0.0022                 0.0298                -0.0036
 Gamma2 Fr= 1--      0.0241                -0.0481                -0.3297
 Delta2 Fr= 1--     -0.1927                 0.2494                -0.2905
 Raman1 Fr= 1--      21.385                 30.961                 12.354
 ROA1   Fr= 1--      -3.849                  3.363                -40.945
 CID1   Fr= 1--      -0.180                  0.109                 -3.314
 Raman2 Fr= 1--       7.856                 10.784                  4.351
 ROA2   Fr= 1--       2.120                 -3.149                 -5.588
 CID2   Fr= 1--       0.270                 -0.292                 -1.284
 Raman3 Fr= 1--      15.712                 21.568                  8.702
 ROA3   Fr= 1--      -3.849                  3.363                -40.945
 CID3   Fr= 1--      -0.245                  0.156                 -4.705
 RC180  Fr= 1--       0.469                  0.393                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01   0.01     0.10   0.03  -0.00     0.09  -0.08  -0.03
     2   6     0.07   0.04  -0.01    -0.08  -0.06   0.01     0.05   0.07   0.00
     3   6     0.05  -0.03  -0.02    -0.07   0.03   0.01    -0.07  -0.04   0.02
     4   6    -0.02   0.01   0.03     0.05  -0.05   0.01     0.00   0.03   0.01
     5   8    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.01
     6   6    -0.01  -0.01   0.00     0.03   0.03  -0.00    -0.01   0.01   0.00
     7   8     0.01   0.01   0.01    -0.02  -0.01  -0.01    -0.03  -0.01  -0.03
     8   1     0.28  -0.02  -0.06    -0.27  -0.04   0.05    -0.35   0.54   0.15
     9   8     0.00  -0.01   0.01    -0.01   0.02  -0.02     0.00  -0.02   0.02
    10   1    -0.32  -0.08   0.01     0.34   0.13  -0.01    -0.31  -0.18   0.01
    11   1    -0.15   0.05   0.02     0.20  -0.11  -0.05     0.34   0.22  -0.06
    12   8    -0.01   0.01   0.01     0.01  -0.00  -0.01     0.00   0.00   0.01
    13   6    -0.10  -0.00  -0.06    -0.09  -0.01  -0.03    -0.01  -0.00  -0.01
    14   1     0.14  -0.08   0.00    -0.09   0.15   0.05     0.03  -0.15  -0.01
    15   8    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    16   1     0.09   0.07  -0.01    -0.23  -0.16   0.03     0.09  -0.05  -0.01
    17   1     0.01  -0.15  -0.11    -0.01   0.16   0.12    -0.01   0.26   0.17
    18   1    -0.14   0.05  -0.06     0.17  -0.07   0.07    -0.24   0.09  -0.08
    19   1     0.07   0.07  -0.06    -0.06  -0.06   0.06     0.04   0.04  -0.03
    20   8     0.03   0.02   0.00     0.04   0.03   0.01     0.00  -0.00  -0.00
    21   1     0.36  -0.18   0.45     0.29  -0.16   0.43     0.00  -0.00   0.01
    22   1     0.34  -0.03   0.21     0.16   0.02   0.05     0.10  -0.03   0.09
    23   1     0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.03  -0.04   0.03
    24   1    -0.10   0.00  -0.31    -0.12   0.00  -0.38     0.01   0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1445.4231              1465.5853              1493.4463
 Red. masses --      1.6780                 1.6149                 1.0851
 Frc consts  --      2.0655                 2.0436                 1.4259
 IR Inten    --     23.6383                10.5758                 6.4832
 RamAct Fr= 1--      4.4299                 5.8167                 7.3975
  Dep-P Fr= 1--      0.7162                 0.6797                 0.7119
  Dep-U Fr= 1--      0.8346                 0.8093                 0.8317
 Alpha2 Fr= 1--      0.0026                 0.0072                 0.0049
 Beta2  Fr= 1--      0.6162                 0.7846                 1.0254
 AlphaG Fr= 1--      0.0222                -0.0293                 0.0088
 Gamma2 Fr= 1--      0.6090                -0.3290                -0.3654
 Delta2 Fr= 1--     -1.0320                 0.9182                -0.5292
 Raman1 Fr= 1--      17.719                 23.267                 29.590
 ROA1   Fr= 1--      25.444                 -2.198                -52.018
 CID1   Fr= 1--       1.436                 -0.094                 -1.758
 Raman2 Fr= 1--       7.395                  9.415                 12.305
 ROA2   Fr= 1--      22.873                -15.241                 -4.537
 CID2   Fr= 1--       3.093                 -1.619                 -0.369
 Raman3 Fr= 1--      14.789                 18.831                 24.610
 ROA3   Fr= 1--      25.444                 -2.198                -52.018
 CID3   Fr= 1--       1.720                 -0.117                 -2.114
 RC180  Fr= 1--       0.669                  0.619                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.07   0.00     0.03   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.06  -0.06   0.00    -0.05   0.08  -0.00     0.00   0.00  -0.00
     3   6     0.05  -0.15  -0.02    -0.02   0.01   0.00    -0.00   0.01   0.00
     4   6    -0.08   0.09   0.01     0.03  -0.01   0.00     0.01  -0.00   0.00
     5   8     0.01  -0.01   0.00    -0.01   0.02  -0.00    -0.00  -0.00   0.00
     6   6     0.02  -0.01  -0.01     0.03  -0.19  -0.03     0.00   0.00   0.00
     7   8    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
     8   1    -0.14  -0.22  -0.00    -0.08  -0.05   0.01     0.00   0.00   0.00
     9   8    -0.00   0.02  -0.01     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   1     0.26   0.12  -0.01     0.17  -0.21  -0.06    -0.00  -0.00  -0.00
    11   1    -0.03   0.53   0.02     0.04  -0.04  -0.01    -0.01  -0.02   0.00
    12   8    -0.03   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.01  -0.00  -0.03    -0.01   0.00  -0.00     0.05   0.00  -0.06
    14   1     0.28  -0.30  -0.05    -0.06   0.02   0.01     0.04   0.01  -0.01
    15   8    -0.00   0.00   0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1    -0.07   0.07   0.01     0.01   0.79   0.02     0.00  -0.00   0.00
    17   1    -0.01   0.11   0.06    -0.00   0.04   0.03     0.00  -0.00  -0.00
    18   1     0.16  -0.06   0.06    -0.04   0.02  -0.02    -0.00   0.00  -0.00
    19   1     0.26   0.24  -0.22    -0.02  -0.02   0.02    -0.02  -0.02   0.01
    20   8    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    21   1    -0.00   0.02  -0.02     0.03  -0.02   0.04    -0.26   0.40   0.52
    22   1     0.19  -0.07   0.19    -0.00   0.00   0.00    -0.41  -0.43   0.37
    23   1     0.04   0.05  -0.04     0.25   0.29  -0.25    -0.00  -0.00   0.00
    24   1     0.03   0.00   0.09    -0.01   0.00  -0.02     0.01   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2954.8645              2982.3661              2986.5378
 Red. masses --      1.0824                 1.0816                 1.0801
 Frc consts  --      5.5684                 5.6683                 5.6761
 IR Inten    --     64.4086                15.2043                43.1021
 RamAct Fr= 1--    128.1742                93.0165               226.0398
  Dep-P Fr= 1--      0.1853                 0.1212                 0.2997
  Dep-U Fr= 1--      0.3127                 0.2163                 0.4611
 Alpha2 Fr= 1--      1.8092                 1.5455                 2.3207
 Beta2  Fr= 1--      6.6799                 3.3526                17.3729
 AlphaG Fr= 1--     -1.5452                -0.6676                 0.8276
 Gamma2 Fr= 1--     -8.4728                -4.9672                26.0331
 Delta2 Fr= 1--      0.3563                -4.5741                22.5182
 Raman1 Fr= 1--     512.697                372.066                904.159
 ROA1   Fr= 1--    -801.991               -623.227               3219.760
 CID1   Fr= 1--      -1.564                 -1.675                  3.561
 Raman2 Fr= 1--      80.159                 40.232                208.474
 ROA2   Fr= 1--    -206.198                -82.620                444.648
 CID2   Fr= 1--      -2.572                 -2.054                  2.133
 Raman3 Fr= 1--     160.318                 80.463                416.949
 ROA3   Fr= 1--    -801.991               -623.227               3219.760
 CID3   Fr= 1--      -5.003                 -7.745                  7.722
 RC180  Fr= 1--      -0.375                 -0.567                 -0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.01   0.01  -0.07    -0.01   0.01  -0.03
     2   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     4   6     0.00   0.00   0.00     0.00  -0.00   0.03    -0.01   0.00  -0.07
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.02   0.01  -0.09     0.16  -0.13   0.87     0.07  -0.06   0.37
     9   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   1    -0.01   0.01  -0.08    -0.02   0.02  -0.16    -0.01   0.01  -0.06
    11   1     0.00   0.00   0.01    -0.01   0.00  -0.07    -0.04   0.01  -0.20
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    14   1    -0.01  -0.00  -0.01    -0.04   0.03  -0.39     0.09  -0.07   0.84
    15   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.14  -0.06   0.98     0.01  -0.00   0.07     0.01  -0.00   0.04
    17   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.00   0.00  -0.00    -0.01  -0.02   0.01     0.04   0.06  -0.02
    22   1     0.00   0.00   0.00    -0.03   0.08   0.05     0.08  -0.23  -0.15
    23   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3006.2592              3016.0319              3027.3290
 Red. masses --      1.0728                 1.0835                 1.0842
 Frc consts  --      5.7127                 5.8072                 5.8542
 IR Inten    --    108.0751                26.4269               128.7935
 RamAct Fr= 1--    302.1080                27.7915                82.0042
  Dep-P Fr= 1--      0.1045                 0.2210                 0.1588
  Dep-U Fr= 1--      0.1893                 0.3620                 0.2740
 Alpha2 Fr= 1--      5.2310                 0.3567                 1.2397
 Beta2  Fr= 1--      9.5302                 1.6769                 3.7454
 AlphaG Fr= 1--      0.9592                 0.3769                -0.1007
 Gamma2 Fr= 1--     -8.1741                -2.0384                 0.9268
 Delta2 Fr= 1--    -12.9119                -3.5990                -0.8682
 Raman1 Fr= 1--    1208.432                111.166                328.017
 ROA1   Fr= 1--   -1197.890               -310.849                 61.190
 CID1   Fr= 1--      -0.991                 -2.796                  0.187
 Raman2 Fr= 1--     114.362                 20.123                 44.944
 ROA2   Fr= 1--     -92.882                -20.129                 29.189
 CID2   Fr= 1--      -0.812                 -1.000                  0.649
 Raman3 Fr= 1--     228.724                 40.247                 89.889
 ROA3   Fr= 1--   -1197.890               -310.849                 61.190
 CID3   Fr= 1--      -5.237                 -7.724                  0.681
 RC180  Fr= 1--      -0.621                 -0.276                 -0.452
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.02
     2   6    -0.00   0.00  -0.00    -0.01   0.01  -0.07    -0.00   0.00  -0.03
     3   6     0.00   0.00   0.01     0.01  -0.00   0.03    -0.02   0.00  -0.07
     4   6    -0.00  -0.00  -0.02     0.00  -0.00   0.01    -0.00   0.00  -0.01
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   1     0.01  -0.00   0.02     0.01  -0.02   0.09     0.04  -0.03   0.19
     9   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.00   0.01     0.10  -0.11   0.89     0.04  -0.05   0.36
    11   1    -0.01   0.00  -0.07    -0.08   0.01  -0.37     0.18  -0.03   0.87
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.03  -0.05  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.04  -0.02   0.29    -0.01   0.00  -0.08     0.01  -0.01   0.15
    15   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01     0.01  -0.00   0.09     0.01  -0.00   0.04
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.10  -0.16   0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   1    -0.26   0.75   0.48     0.00  -0.01  -0.01    -0.00   0.01   0.00
    23   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1     0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3113.8555              3778.1462              3786.0151
 Red. masses --      1.0930                 1.0656                 1.0661
 Frc consts  --      6.2440                 8.9618                 9.0031
 IR Inten    --     23.3427                66.9217                70.7123
 RamAct Fr= 1--    113.9799                65.3660                88.1532
  Dep-P Fr= 1--      0.3633                 0.0918                 0.1993
  Dep-U Fr= 1--      0.5329                 0.1682                 0.3324
 Alpha2 Fr= 1--      0.9581                 1.1676                 1.1993
 Beta2  Fr= 1--     10.1237                 1.8322                 4.8836
 AlphaG Fr= 1--     -0.1350                -0.3073                -0.4707
 Gamma2 Fr= 1--      3.4848                -0.8583                -8.5989
 Delta2 Fr= 1--      0.4913                 0.7177                -0.9694
 Raman1 Fr= 1--     455.919                261.464                352.613
 ROA1   Fr= 1--     350.263                -59.427               -856.520
 CID1   Fr= 1--       0.768                 -0.227                 -2.429
 Raman2 Fr= 1--     121.485                 21.987                 58.604
 ROA2   Fr= 1--      79.705                -26.340               -198.619
 CID2   Fr= 1--       0.656                 -1.198                 -3.389
 Raman3 Fr= 1--     242.970                 43.973                117.207
 ROA3   Fr= 1--     350.263                -59.427               -856.520
 CID3   Fr= 1--       1.442                 -1.351                 -7.308
 RC180  Fr= 1--       0.066                 -0.664                 -0.335
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    15   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.14  -0.01   0.01
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01   0.02   0.01    -0.37   0.84   0.35
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.00  -0.00
    21   1     0.56   0.76  -0.24     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.15   0.10    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.00     0.63   0.71  -0.30    -0.01  -0.01   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3788.2290              3795.5769              3800.6634
 Red. masses --      1.0660                 1.0661                 1.0661
 Frc consts  --      9.0132                 9.0489                 9.0733
 IR Inten    --     95.5045                83.3338               100.0057
 RamAct Fr= 1--    135.8693               115.2030               190.6452
  Dep-P Fr= 1--      0.1494                 0.2064                 0.1759
  Dep-U Fr= 1--      0.2599                 0.3422                 0.2991
 Alpha2 Fr= 1--      2.1037                 1.5380                 2.7580
 Beta2  Fr= 1--      5.8861                 6.5701                 9.5048
 AlphaG Fr= 1--      0.4912                -0.4297                 1.1002
 Gamma2 Fr= 1--      9.2004               -10.1261                10.6946
 Delta2 Fr= 1--      1.2696                -3.5890                 3.0932
 Raman1 Fr= 1--     543.477                460.812                762.581
 ROA1   Fr= 1--     923.867              -1086.955               1125.658
 CID1   Fr= 1--       1.700                 -2.359                  1.476
 Raman2 Fr= 1--      70.633                 78.842                114.057
 ROA2   Fr= 1--     210.653               -214.315                231.924
 CID2   Fr= 1--       2.982                 -2.718                  2.033
 Raman3 Fr= 1--     141.267                157.683                228.115
 ROA3   Fr= 1--     923.867              -1086.955               1125.658
 CID3   Fr= 1--       6.540                 -6.893                  4.935
 RC180  Fr= 1--      -0.480                 -0.316                 -0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.06   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00  -0.00    -0.03  -0.05   0.02    -0.00  -0.01   0.00
    10   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   8    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.02  -0.05  -0.03
    16   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.98  -0.09   0.07     0.05  -0.01   0.00     0.00  -0.00   0.00
    18   1    -0.03  -0.04   0.02     0.51   0.79  -0.30     0.06   0.09  -0.04
    19   1     0.05  -0.12  -0.05     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.03  -0.09  -0.06    -0.27   0.80   0.52
    24   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1539.979562209.021433379.13667
           X            0.99996  -0.00748  -0.00581
           Y            0.00752   0.99995   0.00600
           Z            0.00577  -0.00604   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05624     0.03921     0.02563
 Rotational constants (GHZ):           1.17193     0.81699     0.53408
 Zero-point vibrational energy     513641.7 (Joules/Mol)
                                  122.76331 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     90.43   114.19   158.80   195.57   239.40
          (Kelvin)            306.01   345.19   371.84   381.05   410.05
                              426.38   442.84   464.97   491.89   512.73
                              592.00   611.12   652.69   743.00   815.47
                              852.00   905.29  1032.11  1307.72  1326.18
                             1453.92  1466.71  1492.11  1527.07  1538.18
                             1555.19  1576.48  1592.28  1602.71  1615.01
                             1653.26  1737.10  1779.55  1787.98  1797.98
                             1803.96  1911.05  1916.63  1935.88  1941.69
                             1967.23  1991.83  2008.83  2044.24  2054.47
                             2073.83  2079.64  2108.65  2148.74  4251.39
                             4290.96  4296.96  4325.34  4339.40  4355.65
                             4480.14  5435.91  5447.23  5450.42  5460.99
                             5468.31
 
 Zero-point correction=                           0.195636 (Hartree/Particle)
 Thermal correction to Energy=                    0.208650
 Thermal correction to Enthalpy=                  0.209594
 Thermal correction to Gibbs Free Energy=         0.157074
 Sum of electronic and zero-point Energies=           -687.329048
 Sum of electronic and thermal Energies=              -687.316034
 Sum of electronic and thermal Enthalpies=            -687.315090
 Sum of electronic and thermal Free Energies=         -687.367610
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.930             48.468            110.538
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.820
 Vibrational            129.152             42.506             38.247
 Vibration     1          0.597              1.972              4.366
 Vibration     2          0.600              1.963              3.906
 Vibration     3          0.606              1.941              3.262
 Vibration     4          0.614              1.917              2.860
 Vibration     5          0.624              1.884              2.476
 Vibration     6          0.644              1.822              2.020
 Vibration     7          0.657              1.779              1.803
 Vibration     8          0.667              1.748              1.672
 Vibration     9          0.671              1.737              1.630
 Vibration    10          0.683              1.702              1.503
 Vibration    11          0.690              1.681              1.437
 Vibration    12          0.698              1.659              1.374
 Vibration    13          0.708              1.629              1.294
 Vibration    14          0.721              1.592              1.203
 Vibration    15          0.732              1.562              1.138
 Vibration    16          0.775              1.445              0.921
 Vibration    17          0.787              1.416              0.876
 Vibration    18          0.812              1.353              0.785
 Vibration    19          0.871              1.214              0.618
 Vibration    20          0.923              1.103              0.510
 Vibration    21          0.950              1.048              0.463
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.563782D-72        -72.248889       -166.359215
 Total V=0       0.546069D+18         17.737248         40.841522
 Vib (Bot)       0.489117D-86        -86.310587       -198.737471
 Vib (Bot)    1  0.328442D+01          0.516459          1.189191
 Vib (Bot)    2  0.259508D+01          0.414151          0.953619
 Vib (Bot)    3  0.185549D+01          0.268458          0.618147
 Vib (Bot)    4  0.149751D+01          0.175371          0.403806
 Vib (Bot)    5  0.121257D+01          0.083705          0.192738
 Vib (Bot)    6  0.932830D+00         -0.030198         -0.069532
 Vib (Bot)    7  0.817317D+00         -0.087610         -0.201729
 Vib (Bot)    8  0.752114D+00         -0.123717         -0.284868
 Vib (Bot)    9  0.731625D+00         -0.135711         -0.312487
 Vib (Bot)   10  0.672818D+00         -0.172102         -0.396280
 Vib (Bot)   11  0.643049D+00         -0.191756         -0.441534
 Vib (Bot)   12  0.615147D+00         -0.211021         -0.485895
 Vib (Bot)   13  0.580580D+00         -0.236138         -0.543727
 Vib (Bot)   14  0.542482D+00         -0.265614         -0.611600
 Vib (Bot)   15  0.515578D+00         -0.287706         -0.662467
 Vib (Bot)   16  0.429517D+00         -0.367019         -0.845093
 Vib (Bot)   17  0.411888D+00         -0.385221         -0.887005
 Vib (Bot)   18  0.376900D+00         -0.423774         -0.975776
 Vib (Bot)   19  0.313596D+00         -0.503629         -1.159650
 Vib (Bot)   20  0.272405D+00         -0.564785         -1.300466
 Vib (Bot)   21  0.254187D+00         -0.594846         -1.369684
 Vib (V=0)       0.473751D+04          3.675550          8.463266
 Vib (V=0)    1  0.382226D+01          0.582321          1.340843
 Vib (V=0)    2  0.314281D+01          0.497318          1.145118
 Vib (V=0)    3  0.242167D+01          0.384116          0.884459
 Vib (V=0)    4  0.207878D+01          0.317808          0.731781
 Vib (V=0)    5  0.181161D+01          0.258064          0.594215
 Vib (V=0)    6  0.155838D+01          0.192674          0.443648
 Vib (V=0)    7  0.145813D+01          0.163795          0.377152
 Vib (V=0)    8  0.140315D+01          0.147103          0.338718
 Vib (V=0)    9  0.138616D+01          0.141813          0.326536
 Vib (V=0)   10  0.133826D+01          0.126541          0.291372
 Vib (V=0)   11  0.131456D+01          0.118781          0.273504
 Vib (V=0)   12  0.129272D+01          0.111505          0.256749
 Vib (V=0)   13  0.126621D+01          0.102505          0.236026
 Vib (V=0)   14  0.123776D+01          0.092636          0.213302
 Vib (V=0)   15  0.121821D+01          0.085721          0.197380
 Vib (V=0)   16  0.115915D+01          0.064141          0.147691
 Vib (V=0)   17  0.114781D+01          0.059868          0.137851
 Vib (V=0)   18  0.112614D+01          0.051593          0.118797
 Vib (V=0)   19  0.109021D+01          0.037508          0.086366
 Vib (V=0)   20  0.106939D+01          0.029136          0.067088
 Vib (V=0)   21  0.106090D+01          0.025675          0.059120
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.121368D+07          6.084106         14.009172
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                     3333222                                    11111111111111111111111111111                                 
  87777                     1000999                                    44444433333332222211110000000 99     765554443333222222111    
  09887                     1210885                                    96442298654325543042109866311 20     12961521542098654163176  
  16868                     4766725                                    36518164706284037792476191791 29     79276451623865580366093  
 
  XXXXX                     XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX     XXXXXXXXXXXXXXXXXXXXXXX  
  XXXXX                     XXXXX X                                      X  X   XXX  XXX XXXXXXXXXXX  X      XX X   XXXXXXXX XX      
  XXXXX                      X XX X                                         X   X X  X X  XXXXXXXXXX  X      XX X   XXXXXXXX  X      
  XXXXX                      X X  X                                             X X  X X  XXXXXX XXX  X             XXXX XXX  X      
  XXXXX                      X X  X                                               X    X   XXXXX  XX                XXXX  XX  X      
  XXX                        X X                                                  X         XXXX  XX                XX X  XX  X      
  X X                        X X                                                            XXXX   X                XX X  XX  X      
                             X X                                                            XXXX   X                XX X      X      
                             X                                                              XXXX   X                XX X      X      
                                                                                             XXX   X                X  X      X      
                                                                                             XXX   X                X  X      X      
                                                                                             XXX   X                X                
                                                                                             XXX   X                X                
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                              XX                                     
                                                                                               X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000589475   -0.000828150   -0.001057876
      2        6           0.000860554    0.000165915    0.000373547
      3        6          -0.001110946   -0.002310285    0.000223393
      4        6          -0.000584688   -0.000849789   -0.000859216
      5        8           0.002166830    0.001087686    0.001255976
      6        6          -0.003157765   -0.000471373   -0.002726865
      7        8          -0.000041543    0.000822362    0.001079451
      8        1           0.000023742    0.000077673    0.000495902
      9        8           0.000358207    0.000235042   -0.000332784
     10        1          -0.000432248    0.000152255    0.000111230
     11        1          -0.000208878    0.000461185    0.000044545
     12        8           0.001219781    0.001536273   -0.000085808
     13        6          -0.000785213    0.000161720   -0.003654628
     14        1           0.000317294   -0.000377419    0.000688607
     15        8           0.001493941    0.001089197    0.001416047
     16        1           0.000390122   -0.000549787    0.000941304
     17        1          -0.000707114    0.000637111   -0.000211134
     18        1          -0.000799619   -0.000471612    0.000482885
     19        1           0.000010393    0.000926017   -0.000030161
     20        8           0.001131880   -0.000186785    0.002660975
     21        1           0.000283462   -0.000354255   -0.000346556
     22        1          -0.000084629    0.000671605    0.000555342
     23        1          -0.000515215   -0.001087021   -0.001576819
     24        1          -0.000417823   -0.000537568    0.000552642
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003654628 RMS     0.001066348
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124281D+03  0.160282D+01 -0.160958D+01
      2   0.160282D+01  0.117065D+03 -0.381317D+00
      3  -0.160958D+01 -0.381317D+00  0.101574D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.186279D+01 -0.100343D+02 -0.182095D+01
      2   0.126513D+02 -0.320482D+01  0.152749D+02
      3   0.172969D+01 -0.903329D+01  0.147829D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.216968D+02 -0.145680D+02  0.110708D+02
      2  -0.239827D+02  0.129236D+02  0.108295D+02
      3   0.228589D+01  0.164435D+01 -0.219004D+02
      4  -0.124655D+02 -0.757718D+01 -0.111019D+02
      5  -0.103312D+02 -0.100789D+02  0.318620D+02
      6  -0.860980D+01 -0.991423D+01 -0.248071D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.451505D+01  0.472150D+00  0.657229D-01 -0.268778D+00  0.373554D+01
      2   0.472150D+00  0.445157D+01  0.261282D+00  0.373554D+01 -0.205753D+01
      3   0.657229D-01  0.261282D+00  0.135778D+01  0.704831D+00 -0.191568D+01
                 6             7             8             9            10 
      1   0.704831D+00 -0.363634D+00  0.565528D+00  0.223592D+01  0.635778D+01
      2  -0.191568D+01  0.565528D+00 -0.351275D+01 -0.213694D+01 -0.102491D+01
      3  -0.162261D+00  0.223592D+01 -0.213694D+01  0.116015D+02  0.106988D-01
                11            12            13            14            15 
      1  -0.102491D+01  0.106988D-01 -0.119553D+01 -0.348053D+01 -0.172067D+00
      2  -0.349234D+01 -0.531097D-02 -0.348053D+01 -0.436162D+00  0.120417D+01
      3  -0.531097D-02 -0.419485D+01 -0.172067D+00  0.120417D+01  0.240456D+01
                16            17            18            19            20 
      1   0.143925D+01 -0.522359D+00 -0.210457D+01  0.385788D+01 -0.575993D+00
      2  -0.522359D+00  0.230495D+01  0.154880D+01 -0.575993D+00 -0.369976D+01
      3  -0.210457D+01  0.154880D+01 -0.109023D+02  0.849412D-01  0.604145D+00
                21            22            23            24            25 
      1   0.849412D-01 -0.110351D+01 -0.504558D+01  0.278007D+00  0.103378D+01
      2   0.604145D+00 -0.504558D+01  0.875763D+00  0.214323D+01  0.809536D+00
      3  -0.112301D+01  0.278007D+00  0.214323D+01  0.240746D+01 -0.222612D+01
                26            27            28            29            30 
      1   0.809536D+00 -0.222612D+01 -0.191626D+01  0.278714D+01 -0.586098D+00
      2   0.312509D+01  0.135594D+01  0.278714D+01  0.367732D+01 -0.247284D+00
      3   0.135594D+01 -0.105037D+02 -0.586098D+00 -0.247284D+00  0.406991D+00
                31            32            33            34            35 
      1   0.307070D+01  0.493292D+01  0.109677D+01 -0.288488D+01  0.608751D+00
      2   0.493292D+01 -0.119372D+01 -0.222498D+01  0.608751D+00 -0.314340D+01
      3   0.109677D+01 -0.222498D+01 -0.251362D+01  0.433911D+00 -0.108905D+01
                36            37            38            39            40 
      1   0.433911D+00  0.645624D+01 -0.237621D+01 -0.518904D+00 -0.404184D+01
      2  -0.108905D+01 -0.237621D+01 -0.196580D+00 -0.315412D+00 -0.140253D+01
      3   0.102045D+02 -0.518904D+00 -0.315412D+00 -0.750716D+00 -0.391600D+00
                41            42            43            44            45 
      1  -0.140253D+01 -0.391600D+00  0.278616D+01  0.681886D+00  0.127289D+00
      2  -0.469346D+01  0.794731D+00  0.681886D+00  0.178399D+01 -0.551036D+00
      3   0.794731D+00  0.130853D+01  0.127289D+00 -0.551036D+00 -0.198483D+01
                46            47            48            49            50 
      1  -0.621080D+01 -0.491696D+00  0.557325D+00  0.147082D+01  0.342896D+01
      2  -0.491696D+00  0.114516D+01  0.688387D+00  0.342896D+01 -0.857595D+00
      3   0.557325D+00  0.688387D+00  0.219389D+01 -0.341569D+00 -0.142488D+01
                51            52            53            54            55 
      1  -0.341569D+00 -0.934965D+00  0.165307D-01  0.261694D+01  0.634815D+01
      2  -0.142488D+01  0.165307D-01 -0.248790D+01 -0.965267D+00 -0.126850D+00
      3  -0.371243D+01  0.261694D+01 -0.965267D+00  0.112626D+02  0.592342D+00
                56            57            58            59            60 
      1  -0.126850D+00  0.592342D+00  0.942431D+00 -0.186639D+01 -0.502447D+00
      2   0.671155D+00  0.272408D+00 -0.186639D+01  0.831927D+01  0.219878D+01
      3   0.272408D+00  0.956982D+00 -0.502447D+00  0.219878D+01 -0.277036D+00
                61            62            63            64            65 
      1   0.156199D+01 -0.102231D+01 -0.106570D+01 -0.130353D+00  0.398649D-01
      2  -0.102231D+01  0.356149D+01  0.237088D+01  0.398649D-01 -0.112825D+01
      3  -0.106570D+01  0.237088D+01  0.225976D+00 -0.133634D+01  0.179728D+00
                66            67            68            69            70 
      1  -0.133634D+01  0.288152D+00 -0.884318D+00  0.142081D+00 -0.245820D+01
      2   0.179728D+00 -0.884318D+00  0.895119D+00 -0.116196D+01  0.371585D+00
      3  -0.115403D+01  0.142081D+00 -0.116196D+01  0.997535D+00 -0.135485D+01
                71            72            73            74            75 
      1   0.371585D+00 -0.135485D+01 -0.847273D+01  0.285175D+01 -0.113548D+00
      2  -0.213832D+01  0.135695D+01  0.285175D+01  0.134718D+01 -0.809411D+00
      3   0.135695D+01 -0.935147D+01 -0.113548D+00 -0.809411D+00  0.173344D+01
                76            77            78            79            80 
      1   0.611593D+01  0.625080D+00 -0.844891D+00 -0.320281D+01 -0.815922D+00
      2   0.625080D+00  0.434739D+01 -0.122104D+01 -0.815922D+00 -0.181228D+01
      3  -0.844891D+00 -0.122104D+01  0.874721D+00 -0.105687D+01  0.299955D+00
                81            82            83            84            85 
      1  -0.105687D+01 -0.999189D-01  0.541461D-01  0.131064D+01 -0.191591D+00
      2   0.299955D+00  0.541461D-01  0.779025D+00 -0.479183D-01  0.732189D+00
      3   0.153684D+00  0.131064D+01 -0.479183D-01  0.121699D+01 -0.673208D-01
                86            87            88            89            90 
      1   0.732189D+00 -0.673208D-01  0.230651D+01  0.114832D+00  0.295561D+00
      2  -0.608977D+00  0.103965D+01  0.114832D+00  0.183824D+01 -0.930393D+00
      3   0.103965D+01 -0.130417D+01  0.295561D+00 -0.930393D+00  0.986225D+01
                91            92            93            94            95 
      1   0.528028D+00 -0.287718D+00  0.134307D+01 -0.426632D-01  0.118037D+01
      2  -0.287718D+00  0.124503D+01 -0.180564D-01  0.118037D+01 -0.416063D+00
      3   0.134307D+01 -0.180564D-01  0.105441D+01  0.410164D-01  0.955668D+00
                96            97            98            99           100 
      1   0.410164D-01  0.260182D+01 -0.274560D+00  0.152900D+01  0.464054D+01
      2   0.955668D+00 -0.274560D+00  0.206143D+01 -0.117841D+00  0.244426D+01
      3  -0.187264D+00  0.152900D+01 -0.117841D+00  0.896371D+01 -0.143256D+01
               101           102           103           104           105 
      1   0.244426D+01 -0.143256D+01  0.102004D+01  0.442355D+01 -0.976686D-01
      2   0.519134D+01 -0.971451D-02  0.442355D+01 -0.964680D+00 -0.224399D+01
      3  -0.971451D-02  0.581124D+00 -0.976686D-01 -0.224399D+01 -0.173197D+01
               106           107           108           109           110 
      1  -0.218090D+01 -0.779291D+00  0.172191D+01  0.296465D+01 -0.284125D+01
      2  -0.779291D+00 -0.452922D+01  0.925200D+00 -0.284125D+01 -0.317167D+01
      3   0.172191D+01  0.925200D+00 -0.543719D+00  0.201426D+01 -0.280389D+00
               111           112           113           114           115 
      1   0.201426D+01 -0.235390D+01 -0.571317D+01 -0.748426D+00  0.358308D+01
      2  -0.280389D+00 -0.571317D+01  0.134182D+01  0.497135D+01 -0.105144D+01
      3  -0.540232D+00 -0.748426D+00  0.497135D+01  0.266488D+01 -0.453607D+01
               116           117           118           119           120 
      1  -0.105144D+01 -0.453607D+01  0.465274D+00 -0.183140D+00 -0.160882D+01
      2   0.505565D+01  0.354959D+01 -0.183140D+00 -0.557746D+00  0.658034D-01
      3   0.354959D+01 -0.620282D+00 -0.160882D+01  0.658034D-01 -0.250142D+00
               121           122           123           124           125 
      1  -0.168949D+00 -0.512794D+00 -0.310261D+00 -0.231297D+01 -0.377749D+00
      2  -0.512794D+00  0.740532D+00 -0.119473D+01 -0.377749D+00 -0.166604D+01
      3  -0.310261D+00 -0.119473D+01  0.752010D+00  0.685614D+00  0.625656D+00
               126           127           128           129           130 
      1   0.685614D+00 -0.315246D+01 -0.237856D+01  0.990816D+00 -0.162277D+01
      2   0.625656D+00 -0.237856D+01 -0.391382D+01 -0.292354D+00 -0.306733D+01
      3  -0.107904D+02  0.990816D+00 -0.292354D+00 -0.358104D+00 -0.464112D-01
               131           132           133           134           135 
      1  -0.306733D+01 -0.464112D-01  0.230704D+01  0.628024D+00 -0.144915D+01
      2   0.228254D+01  0.290329D+01  0.628024D+00  0.630873D+01 -0.190077D+00
      3   0.290329D+01  0.214488D+01 -0.144915D+01 -0.190077D+00  0.723155D+00
               136           137           138           139           140 
      1  -0.486147D+00 -0.529123D-01 -0.167755D+01 -0.186762D-01 -0.761328D+00
      2  -0.529123D-01 -0.427728D+00 -0.362498D+00 -0.761328D+00  0.108725D+00
      3  -0.167755D+01 -0.362498D+00 -0.128636D+01  0.133494D+00 -0.102964D+01
               141           142           143           144           145 
      1   0.133494D+00 -0.297959D+01 -0.615027D+00 -0.200064D+01 -0.882676D+01
      2  -0.102964D+01 -0.615027D+00 -0.174558D+01 -0.445225D+00  0.318030D+01
      3   0.666728D+00 -0.200064D+01 -0.445225D+00 -0.100765D+02  0.681591D+00
               146           147           148           149           150 
      1   0.318030D+01  0.681591D+00  0.175595D+01 -0.134633D+01 -0.190411D+00
      2  -0.376142D+01 -0.649260D+00 -0.134633D+01  0.134108D+01  0.272863D-01
      3  -0.649260D+00 -0.167749D+01 -0.190411D+00  0.272863D-01  0.668100D+00
               151           152           153           154           155 
      1  -0.168798D+00 -0.205118D-01 -0.537430D+00 -0.563845D+01 -0.265387D+01
      2  -0.205118D-01 -0.113504D+00  0.448407D+00 -0.265387D+01 -0.264347D+01
      3  -0.537430D+00  0.448407D+00  0.525525D+00  0.747050D+00  0.559112D+00
               156           157           158           159           160 
      1   0.747050D+00 -0.529853D+01 -0.289074D+01  0.777688D+00  0.195203D+01
      2   0.559112D+00 -0.289074D+01 -0.389648D+01  0.833556D+00  0.106983D+01
      3  -0.143925D+01  0.777688D+00  0.833556D+00 -0.122720D+01 -0.106845D+01
               161           162           163           164           165 
      1   0.106983D+01 -0.106845D+01 -0.858648D+00  0.652408D+00  0.398955D+00
      2   0.132257D+01 -0.554499D+00  0.652408D+00 -0.225487D+01 -0.237459D+00
      3  -0.554499D+00  0.608307D+00  0.398955D+00 -0.237459D+00 -0.340145D+00
               166           167           168           169           170 
      1   0.198047D+01 -0.483048D-01 -0.252581D+00  0.804266D+00 -0.120164D+00
      2  -0.483048D-01  0.927739D+01  0.870938D+00 -0.120164D+00  0.243477D+01
      3  -0.252581D+00  0.870938D+00  0.182820D+01 -0.101557D+00  0.981960D+00
               171           172           173           174           175 
      1  -0.101557D+00  0.423566D+01  0.105802D+01  0.178328D+01  0.233898D+01
      2   0.981960D+00  0.105802D+01  0.247391D+01 -0.123551D+01  0.240188D+01
      3   0.311481D+00  0.178328D+01 -0.123551D+01  0.248107D+01 -0.688818D+00
               176           177           178           179           180 
      1   0.240188D+01 -0.688818D+00  0.137164D+01 -0.803330D+00  0.433302D+01
      2   0.198310D+01  0.194018D-01 -0.803330D+00 -0.979884D+00 -0.126965D+01
      3   0.194018D-01  0.167964D+01  0.433302D+01 -0.126965D+01  0.391787D+01
               181           182           183           184           185 
      1   0.498320D+01  0.286409D+01 -0.137184D+01  0.479748D+01  0.301539D+01
      2   0.286409D+01  0.244241D+01 -0.495459D+00  0.301539D+01  0.427349D+01
      3  -0.137184D+01 -0.495459D+00  0.127172D+01 -0.781008D+00 -0.172843D+01
               186           187           188           189           190 
      1  -0.781008D+00 -0.172471D+01 -0.501833D+00  0.159509D+01  0.220099D+01
      2  -0.172843D+01 -0.501833D+00 -0.136372D+01  0.877550D+00 -0.162523D+01
      3   0.140209D+01  0.159509D+01  0.877550D+00 -0.841790D+00 -0.183169D+01
               191           192           193           194           195 
      1  -0.162523D+01 -0.183169D+01 -0.329550D+01  0.377076D+01  0.173455D+01
      2   0.179690D+01  0.825129D+00  0.377076D+01 -0.626128D+01 -0.357743D+01
      3   0.825129D+00  0.122203D+01  0.173455D+01 -0.357743D+01 -0.388083D+01
               196           197           198           199           200 
      1  -0.272274D+01  0.166534D+01  0.228149D+01 -0.153208D-01 -0.694597D+00
      2   0.166534D+01 -0.319950D+01 -0.304104D+01 -0.694597D+00  0.208705D+01
      3   0.228149D+01 -0.304104D+01 -0.411190D+01 -0.295809D+00  0.511584D+00
               201           202           203           204           205 
      1  -0.295809D+00 -0.154208D+01 -0.189364D+00  0.162696D+00 -0.802731D+00
      2   0.511584D+00 -0.189364D+00 -0.109115D+02 -0.205694D+01  0.120705D-03
      3   0.415486D+00  0.162696D+00 -0.205694D+01 -0.216518D+01  0.646045D-01
               206           207           208           209           210 
      1   0.120705D-03  0.646045D-01 -0.271551D+01 -0.109121D+01  0.192476D+00
      2  -0.499969D+01 -0.199666D+01 -0.109121D+01 -0.206037D+01  0.103846D+01
      3  -0.199666D+01 -0.107457D+01  0.192476D+00  0.103846D+01 -0.177759D+01
               211           212           213           214           215 
      1  -0.263664D+01 -0.103793D+01  0.364342D+00  0.989368D+00  0.372531D+00
      2  -0.103793D+01 -0.348873D+01  0.181764D+01  0.372531D+00  0.189488D+01
      3   0.364342D+00  0.181764D+01 -0.263735D+01 -0.418937D+00 -0.105323D+01
               216 
      1  -0.418937D+00
      2  -0.105323D+01
      3   0.244086D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.327667D-01  0.249571D+00 -0.304193D+01 -0.111492D+01  0.733128D+00
      2  -0.190636D+00 -0.350761D+00 -0.724453D+00  0.796597D+00  0.223545D+01
      3  -0.253152D+01  0.148008D+00 -0.234994D+00  0.512060D+01  0.202040D+01
                 6             7             8             9            10 
      1   0.212321D+01 -0.186840D+01  0.466566D+01 -0.970086D+01 -0.542635D+00
      2   0.138004D+01 -0.425254D+01  0.823419D+00 -0.697247D+01 -0.180724D+01
      3  -0.552421D+00  0.228523D+00 -0.245238D+01  0.585091D+00 -0.275539D+01
                11            12            13            14            15 
      1  -0.182811D+01 -0.889828D+00  0.442824D+00  0.566693D+00 -0.163694D+01
      2  -0.123946D+01  0.341701D+01 -0.468349D+00 -0.186825D+01 -0.381608D+01
      3  -0.594095D+01  0.161880D+00 -0.210769D+00  0.373922D+00  0.204614D+01
                16            17            18            19            20 
      1  -0.131675D+01  0.421306D+01 -0.177752D+01  0.256151D+00 -0.378699D+00
      2  -0.288550D+00 -0.220287D+01  0.144483D+02 -0.306558D+00  0.118958D+01
      3  -0.763560D+00  0.303081D+01  0.285342D+01  0.326980D+01 -0.802543D+00
                21            22            23            24            25 
      1   0.334140D+01 -0.126958D+00 -0.224047D+01 -0.211414D+01  0.315237D+01
      2   0.601184D+00 -0.165052D+01  0.103720D+01 -0.691192D+00 -0.445801D+01
      3  -0.635745D+00  0.473022D+01 -0.577573D+01 -0.300885D+01  0.271461D+00
                26            27            28            29            30 
      1   0.146159D+01  0.838637D+01 -0.261924D+01 -0.991731D+00  0.151199D+01
      2   0.650565D+00 -0.433018D+01 -0.746770D+01  0.394569D+01 -0.150987D+01
      3  -0.121130D+01 -0.347250D+01 -0.830011D+01 -0.997502D+01 -0.522873D+00
                31            32            33            34            35 
      1  -0.919542D+00  0.312001D+00  0.307736D+01  0.388976D+00  0.439158D+01
      2   0.264313D+01 -0.138766D+01 -0.503135D+01 -0.492929D+01 -0.616868D-01
      3  -0.790323D+01  0.164564D+01  0.393851D+01  0.422330D+00  0.362202D+01
                36            37            38            39            40 
      1  -0.522829D+00  0.168594D+01  0.996454D-01 -0.258713D+01  0.156318D+01
      2   0.146232D+02  0.429788D+01 -0.806347D+00  0.121170D+02 -0.217896D+01
      3   0.246893D+01 -0.849819D+01 -0.524840D+01  0.151509D+00  0.176293D+02
                41            42            43            44            45 
      1   0.281488D+01 -0.714509D+01  0.203562D+01  0.314013D+01  0.474791D+00
      2  -0.137824D+01  0.218116D+01 -0.610747D+01 -0.145497D+01 -0.184509D+00
      3   0.602928D+01 -0.302175D+00 -0.321821D+01 -0.164766D+01 -0.215686D+00
                46            47            48            49            50 
      1   0.823402D+00 -0.739957D+00  0.326907D+01 -0.951952D+00 -0.357028D+01
      2  -0.382895D+01 -0.146783D+01 -0.839393D+01 -0.102301D+00  0.304110D+01
      3   0.736066D+01  0.555453D+01 -0.226805D+00  0.223531D+01 -0.135536D+01
                51            52            53            54            55 
      1  -0.741529D+00  0.854181D+00  0.695986D+00  0.112983D+02 -0.123014D+01
      2   0.254927D+01 -0.689890D+01 -0.743021D+00 -0.120078D+02 -0.660174D+01
      3  -0.251364D+01  0.843724D+00 -0.167101D+01 -0.416209D+01  0.192944D+02
                56            57            58            59            60 
      1   0.367334D+00 -0.705362D+00  0.196319D+01 -0.268283D+01 -0.753429D+01
      2   0.285381D+01  0.216255D+01  0.688881D+00 -0.295205D+01 -0.174661D+01
      3  -0.365445D+01 -0.201264D+00  0.634544D+01  0.736785D+01  0.104721D+01
                61            62            63            64            65 
      1   0.914583D+00  0.112451D+01 -0.311451D+01  0.132765D+01  0.404140D+00
      2  -0.399164D+01 -0.185034D+01 -0.146776D+01  0.997860D+00 -0.483813D+00
      3   0.349491D+01  0.324595D+01  0.953962D+00 -0.166351D+00 -0.203368D+01
                66            67            68            69            70 
      1   0.100107D+01  0.711577D-01  0.141186D+01 -0.170300D+01  0.113341D+01
      2   0.227834D+01  0.284156D-01  0.439522D+00 -0.352436D+00 -0.354446D+01
      3  -0.116447D+01  0.890500D+00 -0.290758D+00 -0.838514D+00 -0.301126D+01
                71            72            73            74            75 
      1   0.367995D+01  0.107832D+02  0.662055D+00 -0.173113D+00  0.827601D+00
      2  -0.615445D+00  0.763208D+01  0.467998D+01  0.285020D+01  0.504240D+01
      3  -0.183137D+01 -0.211047D+00  0.113779D+02 -0.287540D+01 -0.289237D+01
                76            77            78            79            80 
      1  -0.155517D+01  0.109098D+01 -0.231191D+01  0.983942D+00  0.329360D+01
      2   0.242105D+01  0.334838D+01 -0.402785D+01 -0.248216D+01 -0.156960D+01
      3   0.879555D+01  0.182200D+02 -0.310623D+01 -0.249815D+01 -0.641730D+01
                81            82            83            84            85 
      1  -0.267273D-01  0.279228D+00  0.978539D+00  0.310009D+00  0.504665D+00
      2   0.217270D+01 -0.302175D+01  0.144049D+00 -0.135113D+01  0.689597D+00
      3   0.121393D+01  0.104724D+00 -0.828104D-01 -0.283652D+00  0.206619D+01
                86            87            88            89            90 
      1  -0.364100D+00 -0.180840D+01  0.233087D+00  0.413263D+01  0.124288D+01
      2  -0.175336D+01  0.176508D+01 -0.559705D+01  0.117334D+01 -0.142251D+02
      3  -0.774254D+00  0.153464D+01 -0.502842D+00  0.242796D+01 -0.783130D+00
                91            92            93            94            95 
      1  -0.204203D+01  0.979453D+00 -0.136816D+01  0.486118D+00 -0.147565D+01
      2   0.135619D+00  0.546838D+00  0.917665D+00  0.108568D+01  0.219573D-01
      3   0.127233D+01 -0.237209D+01  0.149961D+01  0.259918D+00  0.106761D+01
                96            97            98            99           100 
      1  -0.257842D+00 -0.221616D+01  0.456055D+01 -0.931583D+01  0.224482D+01
      2   0.250680D+00 -0.408735D+01  0.289498D+00  0.499372D+01 -0.204624D+00
      3  -0.642964D+00  0.279160D+01 -0.214886D+01  0.159934D+01  0.883903D+01
               101           102           103           104           105 
      1  -0.233526D+01 -0.430875D+01 -0.878670D+00  0.822981D+01 -0.171025D+01
      2  -0.380899D+00  0.551124D+01  0.135188D+01 -0.136852D+01  0.143777D+01
      3  -0.110169D+02 -0.243331D+01  0.163293D+00  0.111164D+02  0.350761D+01
               106           107           108           109           110 
      1  -0.278428D+01  0.550264D+01  0.371653D+01  0.381528D+01  0.136505D+01
      2  -0.191914D+01  0.863621D+00 -0.175435D+01  0.108161D+02 -0.402893D+01
      3  -0.555184D+01  0.578210D+01  0.209861D+01  0.793358D+01  0.971530D+01
               111           112           113           114           115 
      1  -0.115917D+01  0.189541D+01  0.234248D+01 -0.364537D+01 -0.159757D+01
      2   0.874303D+00 -0.474421D+01  0.108348D+02  0.800271D+01 -0.967780D+01
      3  -0.342248D+00  0.214213D+02 -0.264012D+00 -0.122933D+02  0.862823D+00
               116           117           118           119           120 
      1  -0.341536D+01 -0.297075D+01 -0.283542D-01  0.117900D+01  0.408642D+00
      2   0.835217D+01 -0.491741D+01 -0.278893D+01 -0.322053D+00 -0.246443D+00
      3  -0.118756D+02 -0.697861D+01  0.257889D+00  0.911235D-01  0.333736D+00
               121           122           123           124           125 
      1   0.235449D+00 -0.152987D+01 -0.243285D+00  0.248050D+00  0.534768D+01
      2  -0.613616D-01 -0.234416D+01  0.115540D+01 -0.620488D+01  0.627620D+00
      3   0.267771D+01 -0.182595D+01  0.189779D+01  0.635114D+00  0.270151D+01
               126           127           128           129           130 
      1  -0.141147D+01  0.161039D+01 -0.496906D+00 -0.374530D+01  0.862856D+00
      2  -0.148191D+02 -0.270170D+01 -0.246314D+00  0.545917D+01  0.660242D+00
      3  -0.218479D+01  0.583470D+01 -0.824327D+01 -0.259760D+01  0.438173D+01
               131           132           133           134           135 
      1   0.124457D+02 -0.239383D+01 -0.191159D+01  0.649495D+01  0.565572D+01
      2  -0.486041D+01  0.215121D+00 -0.817530D+00  0.241940D+00 -0.261879D+01
      3   0.994251D+01  0.508959D+01 -0.628147D+01  0.959597D+01  0.324066D+01
               136           137           138           139           140 
      1  -0.210445D+01  0.171654D+00 -0.130372D+01  0.695968D+00 -0.167842D+01
      2   0.137043D+01  0.581011D+00  0.208258D+01  0.753294D+00  0.759679D+00
      3   0.101544D+01 -0.208651D+01  0.204166D+01  0.526219D-01  0.179925D+01
               141           142           143           144           145 
      1   0.506367D+00 -0.123763D+01  0.566715D+01 -0.109026D+02 -0.205733D+00
      2  -0.137986D+01 -0.374357D+01 -0.134581D+00  0.112362D+02  0.537565D+01
      3  -0.117250D+01  0.368232D+01 -0.198306D+01  0.306422D+01 -0.212807D+02
               146           147           148           149           150 
      1  -0.394129D+00  0.377977D+01  0.414421D-01  0.194706D+00 -0.111221D+01
      2  -0.118654D+01  0.339970D+01 -0.813943D+00  0.688192D+00 -0.105408D+01
      3  -0.168891D+00  0.826944D+00  0.214841D+01 -0.230280D+01 -0.721888D+00
               151           152           153           154           155 
      1   0.122706D+01 -0.286154D+00 -0.839502D+00  0.557832D-01  0.822397D-01
      2   0.440206D+00 -0.712510D+00 -0.405957D+00 -0.237095D+01 -0.186576D+01
      3  -0.925567D+00 -0.533893D+00 -0.593834D+00 -0.843393D+01 -0.942342D+01
               156           157           158           159           160 
      1  -0.901393D+00  0.460416D+00 -0.869657D+00 -0.107411D+01 -0.270424D+00
      2   0.457573D+01 -0.267636D+01 -0.288128D+01  0.457333D+01  0.235413D+01
      3   0.197074D+01 -0.842730D+01 -0.158031D+02  0.280597D+01  0.340228D+01
               161           162           163           164           165 
      1   0.719803D+00  0.395856D+00 -0.173657D+01  0.245676D+01  0.183818D+01
      2   0.182318D+01 -0.164694D+01  0.268176D+00 -0.104870D+00 -0.625770D+00
      3   0.472898D+01 -0.169358D+01 -0.557547D+01  0.570241D+01  0.203480D+01
               166           167           168           169           170 
      1   0.124768D+01 -0.779735D+01 -0.616796D+01  0.682097D+00 -0.323384D+01
      2  -0.352687D-01  0.809800D+00  0.150339D+01 -0.100799D+01  0.103489D+01
      3   0.732889D+01 -0.157065D+02 -0.252469D+01  0.338863D+01 -0.460528D+01
               171           172           173           174           175 
      1  -0.174434D+01  0.294706D+01  0.333177D+01  0.204865D+01  0.145107D+01
      2   0.478124D+00 -0.520073D+00 -0.648910D+01  0.135624D+02 -0.516090D+01
      3  -0.194332D+01 -0.912103D+01 -0.117732D+02  0.289888D+01 -0.744057D+01
               176           177           178           179           180 
      1   0.386978D+01 -0.426141D+01  0.578753D+00  0.556492D+01  0.565101D+01
      2  -0.259256D+01  0.450685D+01  0.504233D+01 -0.810137D+00  0.141516D+02
      3  -0.671785D+01  0.496467D+00  0.176926D+01  0.164699D+01  0.202345D+00
               181           182           183           184           185 
      1  -0.242020D+01 -0.194043D+01 -0.514382D+00 -0.218017D+01 -0.378454D+01
      2  -0.917462D+00  0.140902D-01  0.457592D+01  0.119587D+01 -0.339635D+01
      3  -0.940578D+01 -0.100369D+02  0.216702D+01 -0.857469D+01 -0.164200D+02
               186           187           188           189           190 
      1  -0.895174D-01  0.470735D+00  0.265761D+01 -0.695217D+00  0.557431D-01
      2   0.487938D+01  0.211357D+01  0.229400D+01 -0.128493D+01 -0.349580D+01
      3   0.541580D+01  0.178217D+01  0.457434D+01 -0.315896D+01  0.252116D+01
               191           192           193           194           195 
      1  -0.124522D+01  0.104748D+01 -0.146942D+01  0.336972D+01 -0.296154D+01
      2   0.157988D+01  0.340756D+01  0.122559D+01 -0.732390D+01 -0.110881D+02
      3  -0.553598D+01 -0.129571D+01 -0.505782D+01  0.153891D+02  0.843669D+01
               196           197           198           199           200 
      1   0.485076D+00  0.182433D+01 -0.169517D+01 -0.318355D+00  0.210204D+01
      2   0.225941D+01 -0.731868D+01 -0.103914D+02  0.875125D+00 -0.454978D+00
      3  -0.173449D+01  0.795791D+01  0.689143D+01 -0.237832D+01  0.426700D+01
               201           202           203           204           205 
      1   0.184929D+01  0.530361D+00 -0.779260D+01 -0.704780D+01  0.322619D+00
      2  -0.351619D+00 -0.810755D+00  0.284492D+01  0.270798D+01 -0.972309D+00
      3   0.162393D+01  0.528494D+01 -0.170608D+02 -0.407856D+01  0.279987D+01
               206           207           208           209           210 
      1  -0.590006D+01 -0.361415D+01 -0.254856D+01 -0.324363D+01 -0.708041D+00
      2   0.267007D+01  0.135129D+01  0.660310D+01  0.553080D+01 -0.599477D+01
      3  -0.791975D+01 -0.354663D+01  0.856192D+01  0.725893D+01 -0.269020D+01
               211           212           213           214           215 
      1  -0.245083D+01 -0.340425D+01 -0.533292D+00  0.295517D+00  0.223018D+01
      2   0.516270D+01  0.804573D+01 -0.792060D+01 -0.336951D+01 -0.417072D+01
      3   0.822297D+01  0.101254D+02 -0.526555D+01 -0.188762D+01 -0.501705D+01
               216 
      1   0.537446D+00
      2   0.674452D+01
      3   0.377224D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.773631D+01 -0.756948D+01 -0.110771D+01 -0.482083D+01  0.891789D+01
      2  -0.336248D+01  0.121060D+02  0.115355D+00  0.826757D+01 -0.193337D+02
      3  -0.437383D+01 -0.453648D+01  0.992358D+00 -0.344673D+01  0.104158D+02
      4  -0.120016D+01 -0.790894D+01 -0.239606D+00 -0.120912D+02  0.108463D+02
      5   0.206330D+01 -0.215198D+01 -0.545640D+01 -0.489989D+01  0.164918D+01
      6   0.149439D+01  0.326839D+01  0.748112D+01  0.325305D+01 -0.918666D+01
                 6             7             8             9            10 
      1   0.463428D+01  0.150131D+01  0.494256D+01  0.860816D+01 -0.361138D+02
      2  -0.160228D+01  0.379978D+01 -0.139864D+02  0.542515D+01  0.200160D+02
      3  -0.303201D+01 -0.530109D+01  0.904388D+01 -0.140333D+02  0.160978D+02
      4   0.257573D+01 -0.225667D+01  0.739842D+01  0.809904D+01  0.513516D+01
      5   0.394921D+01 -0.463161D+01  0.494523D+01 -0.221440D+02 -0.135061D+01
      6  -0.113683D+02  0.671378D+01 -0.721186D+01  0.275233D+02 -0.617826D+00
                11            12            13            14            15 
      1  -0.139514D+01  0.365116D+01  0.274682D+01  0.975680D+01 -0.484447D+00
      2   0.414272D+01  0.237593D+01 -0.154929D+01 -0.274712D+01 -0.957393D+00
      3  -0.274758D+01 -0.602709D+01 -0.119753D+01 -0.700968D+01  0.144184D+01
      4  -0.591604D+00 -0.320909D+00  0.880403D+01  0.470413D+00 -0.273124D+01
      5  -0.799716D+00 -0.280160D+00  0.100638D+01 -0.165175D+01 -0.715599D+01
      6   0.120839D+00  0.273137D+01 -0.129918D+01 -0.989048D-01 -0.882294D+00
                16            17            18            19            20 
      1  -0.528200D+01  0.193378D+01  0.187386D+02 -0.406633D+01  0.598158D+01
      2   0.359561D+01 -0.582434D+01  0.473647D+01  0.134491D+01 -0.122427D+02
      3   0.168639D+01  0.389056D+01 -0.234751D+02  0.272141D+01  0.626115D+01
      4   0.290171D+01 -0.358019D+01 -0.397468D+01 -0.327551D+01 -0.103235D+02
      5   0.716023D+01 -0.434630D+01  0.305019D+02  0.106101D+01  0.412200D+01
      6   0.907178D+00 -0.150637D+00  0.712583D+01 -0.182510D+00  0.434540D+01
                21            22            23            24            25 
      1  -0.251952D+01  0.218606D+01 -0.268717D+01 -0.489109D+01  0.292519D+01
      2   0.341284D+00 -0.861763D+01 -0.211980D+01  0.326476D+01  0.425377D+01
      3   0.217824D+01  0.643157D+01  0.480697D+01  0.162634D+01 -0.717895D+01
      4   0.164404D+01 -0.164107D+02 -0.867494D+01  0.215441D+01  0.478443D+01
      5  -0.654239D+01  0.234780D+01  0.461557D+01 -0.686659D+00 -0.330144D+01
      6  -0.810836D+01  0.346638D+01  0.656867D+01 -0.384511D+01 -0.507057D+01
                26            27            28            29            30 
      1  -0.126704D+01  0.418475D+00 -0.199753D+02  0.100514D+02 -0.149995D+01
      2   0.647345D+01  0.901808D+01  0.969390D+01 -0.112727D+02  0.104026D+01
      3  -0.520641D+01 -0.943655D+01  0.102814D+02  0.122126D+01  0.459687D+00
      4   0.787365D+01 -0.216476D+01 -0.205037D+01 -0.277861D+01 -0.819229D+00
      5   0.762030D+00 -0.141138D+02 -0.166286D+01 -0.157894D+01 -0.430145D+01
      6   0.524080D+00 -0.215686D+02 -0.292743D+00 -0.252256D+01 -0.179853D+01
                31            32            33            34            35 
      1   0.451216D+01  0.163651D+02 -0.446289D+01 -0.689518D+01 -0.956491D+00
      2  -0.319909D+01 -0.163607D+02 -0.498970D+01  0.257507D+01 -0.134734D+01
      3  -0.131307D+01 -0.440416D-02  0.945259D+01  0.432011D+01  0.230383D+01
      4  -0.468084D+01 -0.101648D+02 -0.637859D+01  0.512031D+01 -0.296717D+01
      5   0.221201D+01 -0.920691D+01 -0.111897D+02  0.173897D+00 -0.372125D+01
      6  -0.520450D+01  0.411571D+01 -0.414693D+01 -0.213686D+01  0.961442D+00
                36            37            38            39            40 
      1   0.229805D+02  0.183712D+02 -0.241109D+01  0.206319D+01 -0.109493D+01
      2   0.174512D+02 -0.110325D+02  0.246512D+01 -0.178992D+01  0.218940D+01
      3  -0.404317D+02 -0.733876D+01 -0.540313D-01 -0.273265D+00 -0.109447D+01
      4  -0.416673D+01 -0.861691D+01  0.197719D+02  0.333725D+00  0.176364D+02
      5   0.262066D+02  0.242160D+01  0.764296D+00  0.237435D+02 -0.217143D+01
      6   0.147606D+01  0.192700D+01  0.313861D+00  0.699594D+01  0.145373D+01
                41            42            43            44            45 
      1  -0.171512D+02  0.418953D+01  0.404371D+01  0.287314D+01 -0.767931D+01
      2   0.243190D+02  0.241717D+01 -0.493126D+01 -0.344493D+01 -0.580950D+01
      3  -0.716785D+01 -0.660670D+01  0.887555D+00  0.571790D+00  0.134888D+02
      4   0.157647D+00  0.902907D+00 -0.618451D+01 -0.764165D+00 -0.190018D+01
      5   0.202986D+01  0.386164D+01  0.745044D+01 -0.156798D+01  0.132140D+01
      6  -0.645700D+00  0.960112D+01 -0.124008D+01  0.703295D+01  0.690090D+00
                46            47            48            49            50 
      1  -0.160385D+02  0.474253D+01  0.239555D+01 -0.396707D+01 -0.214673D+01
      2   0.130506D+02 -0.712952D+01  0.188253D+01 -0.552924D+01 -0.686795D+01
      3   0.298788D+01  0.238699D+01 -0.427808D+01  0.949631D+01  0.901467D+01
      4   0.592760D+01 -0.206042D+02 -0.250868D+01 -0.208505D+02 -0.119655D+02
      5   0.930088D+00 -0.344065D+00 -0.233936D+02  0.277082D+01  0.217844D+01
      6  -0.124741D+01  0.211013D+01 -0.109870D+02  0.287100D+00  0.692945D+01
                51            52            53            54            55 
      1  -0.561424D+01  0.552214D+01 -0.493146D+01  0.793116D+01 -0.164294D+02
      2  -0.124709D+01  0.419934D+01  0.788614D+01  0.215112D+02  0.678789D+01
      3   0.686133D+01 -0.972148D+01 -0.295469D+01 -0.294423D+02  0.964152D+01
      4   0.288083D+01  0.185772D+01  0.593468D+01 -0.122494D+01  0.258016D+02
      5   0.419629D+01 -0.950529D+01  0.499040D+00 -0.282450D+02  0.106649D+01
      6  -0.472277D+01 -0.509781D+01  0.750488D+00 -0.258019D+02  0.292916D+01
                56            57            58            59            60 
      1   0.377667D+01 -0.703653D+00  0.403697D+01 -0.303797D+02 -0.913996D+01
      2  -0.214307D+01  0.225430D+01 -0.764579D+01  0.504823D+02  0.605674D+01
      3  -0.163360D+01 -0.155064D+01  0.360882D+01 -0.201026D+02  0.308322D+01
      4   0.305525D+01  0.132905D+01  0.133646D+02 -0.243167D+02 -0.568743D+01
      5  -0.376307D+00  0.536392D+01  0.281164D+01 -0.420450D+01 -0.210290D+01
      6  -0.695244D+00  0.410520D+00 -0.303982D+01  0.150627D+02  0.157737D+02
                61            62            63            64            65 
      1  -0.136662D+01 -0.112490D+02 -0.115241D+02  0.138087D+01  0.935120D+00
      2  -0.133047D+01  0.159049D+02  0.210186D+01 -0.373366D+01 -0.188087D+01
      3   0.269709D+01 -0.465592D+01  0.942220D+01  0.235279D+01  0.945747D+00
      4   0.775169D+01 -0.106372D+02 -0.691364D+01 -0.169179D+01  0.439876D+01
      5   0.773179D+01 -0.622429D+01 -0.348749D+01  0.485996D+01 -0.129740D+01
      6  -0.471007D+01  0.187964D+02  0.815564D+01 -0.401858D+01  0.404818D+00
                66            67            68            69            70 
      1   0.206950D+01  0.112993D+01 -0.433655D+01  0.345771D+01  0.170768D+01
      2  -0.311963D+01 -0.186229D+01  0.345785D+01 -0.299209D+01 -0.326283D+01
      3   0.105014D+01  0.732358D+00  0.878700D+00 -0.465613D+00  0.155515D+01
      4  -0.364509D+01  0.376842D+01 -0.314530D+01  0.288992D+01 -0.566028D+01
      5   0.101211D+02 -0.143947D+00  0.273618D+01 -0.178904D+01  0.803965D+01
      6  -0.275208D+01  0.111658D+01 -0.436608D+01  0.947548D+01 -0.435773D+01
                71            72            73            74            75 
      1   0.514342D+01 -0.150638D+02  0.575365D+02 -0.170940D+02  0.211459D+01
      2  -0.421848D+01 -0.139508D+02 -0.348289D+02  0.815646D+01 -0.238653D+01
      3  -0.924941D+00  0.290146D+02 -0.227076D+02  0.893754D+01  0.271943D+00
      4   0.487827D+01 -0.498266D+01 -0.207110D+02  0.380023D+01  0.410519D+01
      5  -0.317226D+01  0.218907D+02  0.586768D+01  0.525720D+01  0.108632D+02
      6   0.867613D+01 -0.280091D+02  0.727783D+00  0.428225D+00 -0.208473D+01
                76            77            78            79            80 
      1  -0.346736D+02 -0.101320D+02  0.443889D+01  0.185128D+02  0.450732D+01
      2   0.188544D+02  0.930077D+01 -0.225628D+01 -0.102441D+02 -0.196144D+01
      3   0.158192D+02  0.831226D+00 -0.218261D+01 -0.826867D+01 -0.254588D+01
      4  -0.208165D+01 -0.244528D+02  0.715742D+01  0.420563D+01  0.914894D+01
      5   0.574610D+01  0.820948D+01 -0.631098D+01  0.127031D+02 -0.322220D+01
      6   0.210139D+01  0.221948D+01  0.556011D+01 -0.103845D+01  0.360327D+01
                81            82            83            84            85 
      1   0.128472D+01  0.742083D+00  0.167518D+00 -0.646714D+01  0.886223D+00
      2  -0.770667D+01 -0.383388D+01  0.105025D+00  0.533817D+00 -0.450469D+00
      3   0.642195D+01  0.309180D+01 -0.272543D+00  0.593332D+01 -0.435755D+00
      4  -0.301141D+01 -0.372419D+00  0.284165D+00 -0.231873D+00  0.300788D+00
      5   0.300228D+01 -0.199618D+01 -0.304470D+00  0.349775D+01 -0.195340D+00
      6   0.581241D+00 -0.850084D+00  0.648937D+00 -0.860660D+00  0.379859D+00
                86            87            88            89            90 
      1  -0.578434D+01  0.240153D+01 -0.923176D+01  0.216600D+01 -0.220734D+02
      2   0.111150D+01  0.170163D-01  0.371336D+01  0.718044D+00 -0.167068D+02
      3   0.467284D+01 -0.241854D+01  0.551841D+01 -0.288405D+01  0.387802D+02
      4   0.166049D+01 -0.248062D+01 -0.103309D+01 -0.453466D+01  0.220098D+01
      5  -0.283559D+01  0.294185D+01  0.445623D+01  0.281439D+01 -0.260795D+02
      6  -0.204627D+01  0.911108D+01 -0.303203D+00  0.544758D+01 -0.622724D+01
                91            92            93            94            95 
      1   0.274633D+01 -0.249888D+01  0.218290D+01 -0.206317D+01 -0.678100D+00
      2  -0.423346D+01  0.337368D+01 -0.194926D+01  0.265059D+01 -0.115526D+01
      3   0.148713D+01 -0.874799D+00 -0.233644D+00 -0.587420D+00  0.183336D+01
      4   0.375870D+00  0.382465D+01  0.125777D+01  0.423699D+01  0.707583D+00
      5   0.416257D+01 -0.957107D+00  0.746922D+01 -0.353847D+00  0.240915D+01
      6   0.226090D+01 -0.578496D-01  0.237594D+01  0.580075D+00  0.133125D+01
                96            97            98            99           100 
      1  -0.155033D+01  0.212153D+01 -0.348444D+01 -0.113771D+02  0.148969D+02
      2   0.212002D+01 -0.437409D+01  0.569177D+01 -0.159717D+02 -0.317107D+01
      3  -0.569689D+00  0.225256D+01 -0.220732D+01  0.273488D+02 -0.117258D+02
      4   0.277537D+01  0.311277D+01  0.399937D+01  0.132944D+01  0.230197D+02
      5   0.204697D+00  0.741274D+01 -0.517666D+00  0.167716D+02 -0.485767D+01
      6   0.532557D+01  0.290856D+01  0.399427D+01  0.187343D+02 -0.659407D+01
               101           102           103           104           105 
      1  -0.983278D+01 -0.541400D+00 -0.329507D+01  0.942753D+01  0.818814D+01
      2   0.233684D+02  0.332885D+01  0.135338D+02 -0.888872D+01 -0.998490D+01
      3  -0.135356D+02 -0.278745D+01 -0.102387D+02 -0.538811D+00  0.179676D+01
      4   0.263973D+02 -0.454892D+01  0.238459D+02  0.149780D+02 -0.481141D+01
      5  -0.150698D+01  0.115865D+02 -0.138928D+01 -0.861464D+01  0.170121D+01
      6  -0.343289D+01  0.761976D+01 -0.288550D+01 -0.131035D+02  0.898289D+01
               106           107           108           109           110 
      1  -0.320353D+01  0.129081D+02 -0.356004D+01  0.114429D+02 -0.183169D+02
      2   0.872686D+00 -0.202124D+02 -0.389382D+01 -0.836265D+01  0.139154D+02
      3   0.233084D+01  0.730428D+01  0.745386D+01 -0.308029D+01  0.440149D+01
      4  -0.934126D+01 -0.120187D+02  0.709682D+01 -0.149928D+02 -0.185160D+02
      5   0.102343D+02  0.395380D+01 -0.409963D+01  0.945071D+01  0.583101D-01
      6   0.876866D+01  0.117037D+02 -0.849369D+01 -0.201461D+01  0.652146D+01
               111           112           113           114           115 
      1   0.100124D+02 -0.192525D+02 -0.248339D+02  0.345107D+01  0.107562D+02
      2  -0.151022D+01  0.139804D+02  0.842310D+01 -0.871546D+01 -0.386186D+01
      3  -0.850220D+01  0.527213D+01  0.164108D+02  0.526439D+01 -0.689435D+01
      4  -0.232558D+01 -0.319044D+02  0.953997D+01  0.283407D+02 -0.187523D+01
      5  -0.100945D+02 -0.387690D+00  0.322767D+02  0.189141D+02 -0.374599D+02
      6   0.394677D+01  0.112689D+02 -0.111642D+02 -0.124305D+02  0.112419D+02
               116           117           118           119           120 
      1   0.439766D+01 -0.145873D+02  0.176791D+01 -0.267133D+00 -0.518356D+01
      2  -0.356287D+01  0.840635D+01 -0.518292D+01  0.225672D+00  0.127841D+01
      3  -0.834799D+00  0.618095D+01  0.341501D+01  0.414614D-01  0.390515D+01
      4   0.223940D+02  0.223761D+02 -0.263018D+00  0.174379D+01  0.110744D+01
      5   0.217289D+02 -0.367419D+01 -0.384593D+01 -0.690952D-01  0.706975D+01
      6  -0.223172D+02 -0.558886D+01  0.513385D+00  0.903692D+00 -0.336041D+00
               121           122           123           124           125 
      1  -0.183050D-01 -0.628707D+01  0.865258D+00 -0.507821D+01  0.164800D+01
      2  -0.528396D+00  0.120913D+01  0.190755D+01  0.610701D+01  0.118853D+01
      3   0.546701D+00  0.507794D+01 -0.277281D+01 -0.102880D+01 -0.283654D+01
      4   0.171682D+01  0.196087D+01 -0.215563D+01  0.112523D+01 -0.298092D+01
      5  -0.732799D+00 -0.295433D+01  0.303997D+01  0.873703D+01  0.186696D+01
      6   0.316603D+00 -0.548397D+00  0.898417D+01  0.829630D+00  0.641598D+01
               126           127           128           129           130 
      1  -0.265866D+02  0.138733D+02 -0.706359D+01 -0.304544D+01  0.180793D+00
      2  -0.235144D+02 -0.631734D-01  0.205704D+02  0.448848D+01  0.112465D+02
      3   0.501010D+02 -0.138101D+02 -0.135068D+02 -0.144303D+01 -0.114272D+02
      4   0.203452D+01  0.199679D+02  0.275859D+02 -0.353269D+01  0.243710D+02
      5  -0.261460D+02 -0.264324D+01  0.824533D+00  0.101341D+02 -0.784965D+00
      6   0.230986D+01 -0.392619D+01  0.148428D+01  0.721629D+01  0.633542D+00
               131           132           133           134           135 
      1   0.127651D+02  0.126029D+02 -0.621285D+01  0.193748D+02 -0.626545D+00
      2  -0.109398D+02 -0.155473D+02  0.120189D+01 -0.331714D+02 -0.806526D+01
      3  -0.182523D+01  0.294432D+01  0.501096D+01  0.137966D+02  0.869181D+01
      4   0.141323D+02 -0.600032D+01 -0.104100D+02 -0.174891D+02  0.452134D+01
      5  -0.787631D+01 -0.140833D-01  0.917341D+01  0.820187D+00 -0.378081D+01
      6  -0.222576D+02  0.577824D+01  0.688056D+01  0.518746D+01 -0.104153D+02
               136           137           138           139           140 
      1   0.223019D+01 -0.441228D+00  0.238316D+01 -0.148033D+01 -0.252916D+01
      2  -0.581949D+01  0.590024D+00 -0.333237D+01  0.254495D+01 -0.444384D+00
      3   0.358930D+01 -0.148796D+00  0.949211D+00 -0.106462D+01  0.297354D+01
      4   0.155550D+01  0.415726D+01  0.376619D+01  0.413402D+01  0.454114D+00
      5   0.646265D+01  0.805026D+00  0.123240D+02 -0.847383D+00  0.309899D+01
      6   0.400254D+01  0.957159D+00  0.341819D+01  0.886729D+00  0.194814D+01
               141           142           143           144           145 
      1  -0.105443D+01  0.741096D+00 -0.265064D+01 -0.179334D+02  0.263901D+02
      2   0.424843D+01 -0.532864D+01  0.415732D+01 -0.233832D+02 -0.475307D+01
      3  -0.319400D+01  0.458755D+01 -0.150668D+01  0.413166D+02 -0.216370D+02
      4   0.241065D+01  0.648600D+01  0.620892D+01  0.277825D+01 -0.418645D+02
      5  -0.319028D+01  0.123661D+02  0.194945D+01  0.272053D+02 -0.695162D+01
      6   0.590074D+01  0.514773D+01  0.694812D+01  0.247711D+02  0.215665D+01
               146           147           148           149           150 
      1  -0.204509D+01  0.130260D+00 -0.273483D+01  0.173733D+01  0.278466D+00
      2  -0.972203D+01  0.342346D-01 -0.290239D+01  0.399170D+01 -0.545711D+00
      3   0.117671D+02 -0.164494D+00  0.563722D+01 -0.572903D+01  0.267245D+00
      4   0.224920D+02  0.366179D+01  0.122123D+02 -0.764926D+01 -0.878598D+00
      5   0.317290D+01  0.545888D+01  0.164350D+01 -0.607879D+00 -0.241299D+01
      6  -0.319373D+01 -0.674226D+01 -0.148984D+01  0.701473D+00  0.184500D+01
               151           152           153           154           155 
      1   0.122440D+01 -0.845085D-01  0.871055D+00  0.345473D+02  0.163991D+02
      2  -0.346419D+00 -0.303311D+00 -0.256264D+00 -0.175673D+02 -0.818869D+01
      3  -0.877985D+00  0.387820D+00 -0.614791D+00 -0.169800D+02 -0.821045D+01
      4  -0.748249D+00  0.225785D+00 -0.310508D+01  0.167482D+02  0.164208D+02
      5   0.416929D+01 -0.173617D+01 -0.107547D+01 -0.612620D+01 -0.395295D+01
      6  -0.294019D+01  0.281253D+01  0.219080D+01 -0.121565D+01 -0.847783D+00
               156           157           158           159           160 
      1  -0.523734D+01  0.309982D+02  0.154742D+02 -0.455768D+01 -0.100585D+02
      2   0.244624D+01 -0.160236D+02 -0.548034D+01  0.243591D+01  0.598681D+01
      3   0.279110D+01 -0.149746D+02 -0.999384D+01  0.212178D+01  0.407174D+01
      4  -0.338202D+01  0.197706D+02  0.227958D+02 -0.559231D+01 -0.615126D+01
      5   0.825816D+01 -0.640978D+01 -0.617074D+01  0.762121D+01  0.786339D+01
      6   0.115752D+01 -0.178167D+01 -0.182076D+01  0.118248D+01  0.150103D+01
               161           162           163           164           165 
      1  -0.555098D+01  0.538628D+01 -0.260252D+01  0.867491D+01  0.807142D+00
      2   0.311193D+01 -0.329702D+01  0.396523D+01 -0.132887D+02 -0.216664D+01
      3   0.243906D+01 -0.208926D+01 -0.136271D+01  0.461384D+01  0.135950D+01
      4  -0.718077D+01  0.367432D+01 -0.260541D+01 -0.619943D+00  0.135900D+01
      5   0.442887D+01 -0.390266D+01  0.389228D+00 -0.121835D+01 -0.164775D+01
      6   0.229004D+01 -0.159544D+01  0.166572D+01 -0.349753D+00 -0.167244D+01
               166           167           168           169           170 
      1   0.495685D+01 -0.304043D+02 -0.263807D+01  0.156279D+01 -0.817767D+01
      2  -0.405781D+01  0.533450D+02  0.686735D+01 -0.130292D+01  0.135407D+02
      3  -0.899046D+00 -0.229407D+02 -0.422928D+01 -0.259867D+00 -0.536301D+01
      4   0.727070D+01  0.145116D+02  0.115950D+01  0.219556D+01  0.399318D+01
      5  -0.143382D+01  0.374507D+01  0.343856D+01  0.438303D+00  0.248798D+01
      6  -0.847352D+00  0.127155D+01  0.785029D+01 -0.823104D+00  0.597803D+01
               171           172           173           174           175 
      1  -0.397623D+01  0.342369D+02  0.111041D+02  0.313568D+01  0.156591D+02
      2   0.524418D+01 -0.207201D+02 -0.952432D+01 -0.611785D+01 -0.121073D+02
      3  -0.126795D+01 -0.135169D+02 -0.157976D+01  0.298217D+01 -0.355187D+01
      4   0.108898D+01 -0.423260D+01  0.168680D+02 -0.728226D+01  0.155760D+02
      5   0.527960D+00  0.169651D+02 -0.405395D+01  0.221894D+02 -0.252505D+01
      6   0.223638D+01 -0.338889D+00  0.903910D+01 -0.772784D+01  0.641266D+01
               176           177           178           179           180 
      1   0.157588D+02 -0.559851D+01  0.713261D+01 -0.912527D+01  0.821900D+01
      2  -0.622213D+01  0.330867D+01 -0.744023D+01  0.327436D+01 -0.226818D+02
      3  -0.953665D+01  0.228984D+01  0.307615D+00  0.585091D+01  0.144628D+02
      4   0.288701D+01  0.282907D+01 -0.866253D+01  0.107932D+00 -0.114750D+02
      5   0.447653D+01  0.427818D+01  0.359711D+02 -0.105622D+02  0.297761D+02
      6   0.410801D+01  0.216770D+01 -0.109039D+02  0.137348D+02 -0.292721D+01
               181           182           183           184           185 
      1   0.366748D+02  0.191541D+02 -0.813588D+01  0.308917D+02  0.165266D+02
      2  -0.198886D+02 -0.102499D+02  0.493550D+01 -0.173848D+02 -0.611510D+01
      3  -0.167863D+02 -0.890416D+01  0.320037D+01 -0.135069D+02 -0.104115D+02
      4   0.174396D+02  0.165853D+02 -0.329322D+01  0.193330D+02  0.244386D+02
      5  -0.122417D+02 -0.566384D+01  0.112850D+02 -0.911926D+01 -0.125496D+02
      6  -0.145336D+01 -0.307267D+01  0.430774D+00 -0.342402D+01 -0.281825D+01
               186           187           188           189           190 
      1  -0.542013D+01 -0.899571D+01 -0.293923D+01  0.696047D+01  0.137061D+02
      2   0.468559D+01  0.620617D+01  0.300869D+01 -0.609514D+01 -0.470892D+01
      3   0.734540D+00  0.278954D+01 -0.694596D-01 -0.865331D+00 -0.899716D+01
      4  -0.102593D+02 -0.343830D+01 -0.779457D+01  0.523489D+01 -0.140373D+02
      5   0.101359D+02  0.137770D+02  0.710184D+01 -0.669694D+01 -0.139271D+02
      6   0.324033D+01  0.894875D+00  0.472965D+01 -0.237400D+01  0.631913D+01
               191           192           193           194           195 
      1  -0.790308D+01 -0.929252D+01 -0.132743D+02  0.483129D+01  0.266797D+00
      2   0.139443D+01  0.451977D+01  0.219233D+01  0.100610D+02  0.352150D+01
      3   0.650865D+01  0.477275D+01  0.110819D+02 -0.148923D+02 -0.378830D+01
      4   0.163547D+02  0.829416D+01  0.276650D+02 -0.377694D+02 -0.218058D+02
      5   0.773631D+01  0.123478D+02  0.145001D+02 -0.232008D+02 -0.251378D+02
      6  -0.497313D+01 -0.490568D+01 -0.946245D+01  0.185344D+02  0.170017D+02
               196           197           198           199           200 
      1  -0.107405D+02  0.741520D-01  0.159397D+01 -0.165719D+01  0.981904D+01
      2   0.588148D+01  0.182435D+01 -0.341599D+01  0.356879D+01 -0.140774D+02
      3   0.485903D+01 -0.189850D+01  0.182202D+01 -0.191159D+01  0.425840D+01
      4   0.124891D+02 -0.184966D+02 -0.183893D+02  0.551649D+00  0.214972D+01
      5   0.189219D+02 -0.194572D+02 -0.260146D+02  0.510338D+00 -0.682904D+00
      6  -0.802698D+01  0.151104D+02  0.160475D+02  0.197134D+01 -0.428006D+01
               201           202           203           204           205 
      1   0.287092D+01  0.441950D+01 -0.358558D+02 -0.833937D+01  0.228600D+01
      2  -0.356640D+01 -0.207957D+01  0.627907D+02  0.132883D+02 -0.139209D+01
      3   0.695480D+00 -0.233992D+01 -0.269349D+02 -0.494896D+01 -0.893913D+00
      4   0.109879D+01  0.794371D+01  0.226163D+02  0.382887D+01  0.337376D+01
      5  -0.467352D+00  0.853192D-01  0.680644D+01  0.552517D+01  0.913700D+00
      6  -0.289509D+01 -0.525109D+00  0.165686D+02  0.119579D+02 -0.487229D+00
               206           207           208           209           210 
      1  -0.167791D+02 -0.799283D+01 -0.156882D+02 -0.118306D+02  0.777153D+01
      2   0.262461D+02  0.109575D+02  0.998044D+01  0.823819D+01 -0.256307D+01
      3  -0.946700D+01 -0.296463D+01  0.570776D+01  0.359240D+01 -0.520846D+01
      4   0.933629D+01  0.356687D+01  0.993972D+00 -0.748171D+01  0.379162D+01
      5   0.572490D+01  0.249087D+01 -0.221708D+01  0.183615D+01 -0.795503D+01
      6   0.148604D+02  0.791139D+01 -0.321607D+01 -0.712062D+01  0.708654D+01
               211           212           213           214           215 
      1  -0.169979D+02 -0.163982D+02  0.923077D+01  0.810053D+01  0.748108D+01
      2   0.106148D+02  0.142702D+02 -0.580930D+01 -0.350500D+01 -0.473914D+01
      3   0.638308D+01  0.212805D+01 -0.342147D+01 -0.459553D+01 -0.274195D+01
      4   0.350588D+00 -0.124152D+02  0.726628D+01  0.357471D+00  0.694460D+01
      5  -0.172919D+01  0.564144D+01 -0.981754D+01  0.148605D+01 -0.295320D+01
      6  -0.380670D+01 -0.116845D+02  0.923119D+01  0.294506D+01  0.718733D+01
               216 
      1  -0.772763D+01
      2   0.218057D+01
      3   0.554706D+01
      4  -0.269306D+01
      5   0.815571D+01
      6  -0.713338D+01
 Leave Link  716 at Wed Mar 16 19:58:48 2022, MaxMem=  5368709120 cpu:               4.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124281D+03  0.160282D+01 -0.160958D+01
      2   0.160282D+01  0.117065D+03 -0.381317D+00
      3  -0.160958D+01 -0.381317D+00  0.101574D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.186279D+01 -0.100343D+02 -0.182095D+01
      2   0.126513D+02 -0.320482D+01  0.152749D+02
      3   0.172969D+01 -0.903329D+01  0.147829D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.216968D+02 -0.145680D+02  0.110708D+02
      2  -0.239827D+02  0.129236D+02  0.108295D+02
      3   0.228589D+01  0.164435D+01 -0.219004D+02
      4  -0.124655D+02 -0.757718D+01 -0.111019D+02
      5  -0.103312D+02 -0.100789D+02  0.318620D+02
      6  -0.860980D+01 -0.991423D+01 -0.248071D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.451505D+01  0.472150D+00  0.657229D-01 -0.268778D+00  0.373554D+01
      2   0.472150D+00  0.445157D+01  0.261282D+00  0.373554D+01 -0.205753D+01
      3   0.657229D-01  0.261282D+00  0.135778D+01  0.704831D+00 -0.191568D+01
                 6             7             8             9            10 
      1   0.704831D+00 -0.363634D+00  0.565528D+00  0.223592D+01  0.635778D+01
      2  -0.191568D+01  0.565528D+00 -0.351275D+01 -0.213694D+01 -0.102491D+01
      3  -0.162261D+00  0.223592D+01 -0.213694D+01  0.116015D+02  0.106988D-01
                11            12            13            14            15 
      1  -0.102491D+01  0.106988D-01 -0.119553D+01 -0.348053D+01 -0.172067D+00
      2  -0.349234D+01 -0.531097D-02 -0.348053D+01 -0.436162D+00  0.120417D+01
      3  -0.531097D-02 -0.419485D+01 -0.172067D+00  0.120417D+01  0.240456D+01
                16            17            18            19            20 
      1   0.143925D+01 -0.522359D+00 -0.210457D+01  0.385788D+01 -0.575993D+00
      2  -0.522359D+00  0.230495D+01  0.154880D+01 -0.575993D+00 -0.369976D+01
      3  -0.210457D+01  0.154880D+01 -0.109023D+02  0.849412D-01  0.604145D+00
                21            22            23            24            25 
      1   0.849412D-01 -0.110351D+01 -0.504558D+01  0.278007D+00  0.103378D+01
      2   0.604145D+00 -0.504558D+01  0.875763D+00  0.214323D+01  0.809536D+00
      3  -0.112301D+01  0.278007D+00  0.214323D+01  0.240746D+01 -0.222612D+01
                26            27            28            29            30 
      1   0.809536D+00 -0.222612D+01 -0.191626D+01  0.278714D+01 -0.586098D+00
      2   0.312509D+01  0.135594D+01  0.278714D+01  0.367732D+01 -0.247284D+00
      3   0.135594D+01 -0.105037D+02 -0.586098D+00 -0.247284D+00  0.406991D+00
                31            32            33            34            35 
      1   0.307070D+01  0.493292D+01  0.109677D+01 -0.288488D+01  0.608751D+00
      2   0.493292D+01 -0.119372D+01 -0.222498D+01  0.608751D+00 -0.314340D+01
      3   0.109677D+01 -0.222498D+01 -0.251362D+01  0.433911D+00 -0.108905D+01
                36            37            38            39            40 
      1   0.433911D+00  0.645624D+01 -0.237621D+01 -0.518904D+00 -0.404184D+01
      2  -0.108905D+01 -0.237621D+01 -0.196580D+00 -0.315412D+00 -0.140253D+01
      3   0.102045D+02 -0.518904D+00 -0.315412D+00 -0.750716D+00 -0.391600D+00
                41            42            43            44            45 
      1  -0.140253D+01 -0.391600D+00  0.278616D+01  0.681886D+00  0.127289D+00
      2  -0.469346D+01  0.794731D+00  0.681886D+00  0.178399D+01 -0.551036D+00
      3   0.794731D+00  0.130853D+01  0.127289D+00 -0.551036D+00 -0.198483D+01
                46            47            48            49            50 
      1  -0.621080D+01 -0.491696D+00  0.557325D+00  0.147082D+01  0.342896D+01
      2  -0.491696D+00  0.114516D+01  0.688387D+00  0.342896D+01 -0.857595D+00
      3   0.557325D+00  0.688387D+00  0.219389D+01 -0.341569D+00 -0.142488D+01
                51            52            53            54            55 
      1  -0.341569D+00 -0.934965D+00  0.165307D-01  0.261694D+01  0.634815D+01
      2  -0.142488D+01  0.165307D-01 -0.248790D+01 -0.965267D+00 -0.126850D+00
      3  -0.371243D+01  0.261694D+01 -0.965267D+00  0.112626D+02  0.592342D+00
                56            57            58            59            60 
      1  -0.126850D+00  0.592342D+00  0.942431D+00 -0.186639D+01 -0.502447D+00
      2   0.671155D+00  0.272408D+00 -0.186639D+01  0.831927D+01  0.219878D+01
      3   0.272408D+00  0.956982D+00 -0.502447D+00  0.219878D+01 -0.277036D+00
                61            62            63            64            65 
      1   0.156199D+01 -0.102231D+01 -0.106570D+01 -0.130353D+00  0.398649D-01
      2  -0.102231D+01  0.356149D+01  0.237088D+01  0.398649D-01 -0.112825D+01
      3  -0.106570D+01  0.237088D+01  0.225976D+00 -0.133634D+01  0.179728D+00
                66            67            68            69            70 
      1  -0.133634D+01  0.288152D+00 -0.884318D+00  0.142081D+00 -0.245820D+01
      2   0.179728D+00 -0.884318D+00  0.895119D+00 -0.116196D+01  0.371585D+00
      3  -0.115403D+01  0.142081D+00 -0.116196D+01  0.997535D+00 -0.135485D+01
                71            72            73            74            75 
      1   0.371585D+00 -0.135485D+01 -0.847273D+01  0.285175D+01 -0.113548D+00
      2  -0.213832D+01  0.135695D+01  0.285175D+01  0.134718D+01 -0.809411D+00
      3   0.135695D+01 -0.935147D+01 -0.113548D+00 -0.809411D+00  0.173344D+01
                76            77            78            79            80 
      1   0.611593D+01  0.625080D+00 -0.844891D+00 -0.320281D+01 -0.815922D+00
      2   0.625080D+00  0.434739D+01 -0.122104D+01 -0.815922D+00 -0.181228D+01
      3  -0.844891D+00 -0.122104D+01  0.874721D+00 -0.105687D+01  0.299955D+00
                81            82            83            84            85 
      1  -0.105687D+01 -0.999189D-01  0.541461D-01  0.131064D+01 -0.191591D+00
      2   0.299955D+00  0.541461D-01  0.779025D+00 -0.479183D-01  0.732189D+00
      3   0.153684D+00  0.131064D+01 -0.479183D-01  0.121699D+01 -0.673208D-01
                86            87            88            89            90 
      1   0.732189D+00 -0.673208D-01  0.230651D+01  0.114832D+00  0.295561D+00
      2  -0.608977D+00  0.103965D+01  0.114832D+00  0.183824D+01 -0.930393D+00
      3   0.103965D+01 -0.130417D+01  0.295561D+00 -0.930393D+00  0.986225D+01
                91            92            93            94            95 
      1   0.528028D+00 -0.287718D+00  0.134307D+01 -0.426632D-01  0.118037D+01
      2  -0.287718D+00  0.124503D+01 -0.180564D-01  0.118037D+01 -0.416063D+00
      3   0.134307D+01 -0.180564D-01  0.105441D+01  0.410164D-01  0.955668D+00
                96            97            98            99           100 
      1   0.410164D-01  0.260182D+01 -0.274560D+00  0.152900D+01  0.464054D+01
      2   0.955668D+00 -0.274560D+00  0.206143D+01 -0.117841D+00  0.244426D+01
      3  -0.187264D+00  0.152900D+01 -0.117841D+00  0.896371D+01 -0.143256D+01
               101           102           103           104           105 
      1   0.244426D+01 -0.143256D+01  0.102004D+01  0.442355D+01 -0.976686D-01
      2   0.519134D+01 -0.971451D-02  0.442355D+01 -0.964680D+00 -0.224399D+01
      3  -0.971451D-02  0.581124D+00 -0.976686D-01 -0.224399D+01 -0.173197D+01
               106           107           108           109           110 
      1  -0.218090D+01 -0.779291D+00  0.172191D+01  0.296465D+01 -0.284125D+01
      2  -0.779291D+00 -0.452922D+01  0.925200D+00 -0.284125D+01 -0.317167D+01
      3   0.172191D+01  0.925200D+00 -0.543719D+00  0.201426D+01 -0.280389D+00
               111           112           113           114           115 
      1   0.201426D+01 -0.235390D+01 -0.571317D+01 -0.748426D+00  0.358308D+01
      2  -0.280389D+00 -0.571317D+01  0.134182D+01  0.497135D+01 -0.105144D+01
      3  -0.540232D+00 -0.748426D+00  0.497135D+01  0.266488D+01 -0.453607D+01
               116           117           118           119           120 
      1  -0.105144D+01 -0.453607D+01  0.465274D+00 -0.183140D+00 -0.160882D+01
      2   0.505565D+01  0.354959D+01 -0.183140D+00 -0.557746D+00  0.658034D-01
      3   0.354959D+01 -0.620282D+00 -0.160882D+01  0.658034D-01 -0.250142D+00
               121           122           123           124           125 
      1  -0.168949D+00 -0.512794D+00 -0.310261D+00 -0.231297D+01 -0.377749D+00
      2  -0.512794D+00  0.740532D+00 -0.119473D+01 -0.377749D+00 -0.166604D+01
      3  -0.310261D+00 -0.119473D+01  0.752010D+00  0.685614D+00  0.625656D+00
               126           127           128           129           130 
      1   0.685614D+00 -0.315246D+01 -0.237856D+01  0.990816D+00 -0.162277D+01
      2   0.625656D+00 -0.237856D+01 -0.391382D+01 -0.292354D+00 -0.306733D+01
      3  -0.107904D+02  0.990816D+00 -0.292354D+00 -0.358104D+00 -0.464112D-01
               131           132           133           134           135 
      1  -0.306733D+01 -0.464112D-01  0.230704D+01  0.628024D+00 -0.144915D+01
      2   0.228254D+01  0.290329D+01  0.628024D+00  0.630873D+01 -0.190077D+00
      3   0.290329D+01  0.214488D+01 -0.144915D+01 -0.190077D+00  0.723155D+00
               136           137           138           139           140 
      1  -0.486147D+00 -0.529123D-01 -0.167755D+01 -0.186762D-01 -0.761328D+00
      2  -0.529123D-01 -0.427728D+00 -0.362498D+00 -0.761328D+00  0.108725D+00
      3  -0.167755D+01 -0.362498D+00 -0.128636D+01  0.133494D+00 -0.102964D+01
               141           142           143           144           145 
      1   0.133494D+00 -0.297959D+01 -0.615027D+00 -0.200064D+01 -0.882676D+01
      2  -0.102964D+01 -0.615027D+00 -0.174558D+01 -0.445225D+00  0.318030D+01
      3   0.666728D+00 -0.200064D+01 -0.445225D+00 -0.100765D+02  0.681591D+00
               146           147           148           149           150 
      1   0.318030D+01  0.681591D+00  0.175595D+01 -0.134633D+01 -0.190411D+00
      2  -0.376142D+01 -0.649260D+00 -0.134633D+01  0.134108D+01  0.272863D-01
      3  -0.649260D+00 -0.167749D+01 -0.190411D+00  0.272863D-01  0.668100D+00
               151           152           153           154           155 
      1  -0.168798D+00 -0.205118D-01 -0.537430D+00 -0.563845D+01 -0.265387D+01
      2  -0.205118D-01 -0.113504D+00  0.448407D+00 -0.265387D+01 -0.264347D+01
      3  -0.537430D+00  0.448407D+00  0.525525D+00  0.747050D+00  0.559112D+00
               156           157           158           159           160 
      1   0.747050D+00 -0.529853D+01 -0.289074D+01  0.777688D+00  0.195203D+01
      2   0.559112D+00 -0.289074D+01 -0.389648D+01  0.833556D+00  0.106983D+01
      3  -0.143925D+01  0.777688D+00  0.833556D+00 -0.122720D+01 -0.106845D+01
               161           162           163           164           165 
      1   0.106983D+01 -0.106845D+01 -0.858648D+00  0.652408D+00  0.398955D+00
      2   0.132257D+01 -0.554499D+00  0.652408D+00 -0.225487D+01 -0.237459D+00
      3  -0.554499D+00  0.608307D+00  0.398955D+00 -0.237459D+00 -0.340145D+00
               166           167           168           169           170 
      1   0.198047D+01 -0.483048D-01 -0.252581D+00  0.804266D+00 -0.120164D+00
      2  -0.483048D-01  0.927739D+01  0.870938D+00 -0.120164D+00  0.243477D+01
      3  -0.252581D+00  0.870938D+00  0.182820D+01 -0.101557D+00  0.981960D+00
               171           172           173           174           175 
      1  -0.101557D+00  0.423566D+01  0.105802D+01  0.178328D+01  0.233898D+01
      2   0.981960D+00  0.105802D+01  0.247391D+01 -0.123551D+01  0.240188D+01
      3   0.311481D+00  0.178328D+01 -0.123551D+01  0.248107D+01 -0.688818D+00
               176           177           178           179           180 
      1   0.240188D+01 -0.688818D+00  0.137164D+01 -0.803330D+00  0.433302D+01
      2   0.198310D+01  0.194018D-01 -0.803330D+00 -0.979884D+00 -0.126965D+01
      3   0.194018D-01  0.167964D+01  0.433302D+01 -0.126965D+01  0.391787D+01
               181           182           183           184           185 
      1   0.498320D+01  0.286409D+01 -0.137184D+01  0.479748D+01  0.301539D+01
      2   0.286409D+01  0.244241D+01 -0.495459D+00  0.301539D+01  0.427349D+01
      3  -0.137184D+01 -0.495459D+00  0.127172D+01 -0.781008D+00 -0.172843D+01
               186           187           188           189           190 
      1  -0.781008D+00 -0.172471D+01 -0.501833D+00  0.159509D+01  0.220099D+01
      2  -0.172843D+01 -0.501833D+00 -0.136372D+01  0.877550D+00 -0.162523D+01
      3   0.140209D+01  0.159509D+01  0.877550D+00 -0.841790D+00 -0.183169D+01
               191           192           193           194           195 
      1  -0.162523D+01 -0.183169D+01 -0.329550D+01  0.377076D+01  0.173455D+01
      2   0.179690D+01  0.825129D+00  0.377076D+01 -0.626128D+01 -0.357743D+01
      3   0.825129D+00  0.122203D+01  0.173455D+01 -0.357743D+01 -0.388083D+01
               196           197           198           199           200 
      1  -0.272274D+01  0.166534D+01  0.228149D+01 -0.153208D-01 -0.694597D+00
      2   0.166534D+01 -0.319950D+01 -0.304104D+01 -0.694597D+00  0.208705D+01
      3   0.228149D+01 -0.304104D+01 -0.411190D+01 -0.295809D+00  0.511584D+00
               201           202           203           204           205 
      1  -0.295809D+00 -0.154208D+01 -0.189364D+00  0.162696D+00 -0.802731D+00
      2   0.511584D+00 -0.189364D+00 -0.109115D+02 -0.205694D+01  0.120705D-03
      3   0.415486D+00  0.162696D+00 -0.205694D+01 -0.216518D+01  0.646045D-01
               206           207           208           209           210 
      1   0.120705D-03  0.646045D-01 -0.271551D+01 -0.109121D+01  0.192476D+00
      2  -0.499969D+01 -0.199666D+01 -0.109121D+01 -0.206037D+01  0.103846D+01
      3  -0.199666D+01 -0.107457D+01  0.192476D+00  0.103846D+01 -0.177759D+01
               211           212           213           214           215 
      1  -0.263664D+01 -0.103793D+01  0.364342D+00  0.989368D+00  0.372531D+00
      2  -0.103793D+01 -0.348873D+01  0.181764D+01  0.372531D+00  0.189488D+01
      3   0.364342D+00  0.181764D+01 -0.263735D+01 -0.418937D+00 -0.105323D+01
               216 
      1  -0.418937D+00
      2  -0.105323D+01
      3   0.244086D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.327667D-01  0.249571D+00 -0.304193D+01 -0.111492D+01  0.733128D+00
      2  -0.190636D+00 -0.350761D+00 -0.724453D+00  0.796597D+00  0.223545D+01
      3  -0.253152D+01  0.148008D+00 -0.234994D+00  0.512060D+01  0.202040D+01
                 6             7             8             9            10 
      1   0.212321D+01 -0.186840D+01  0.466566D+01 -0.970086D+01 -0.542635D+00
      2   0.138004D+01 -0.425254D+01  0.823419D+00 -0.697247D+01 -0.180724D+01
      3  -0.552421D+00  0.228523D+00 -0.245238D+01  0.585091D+00 -0.275539D+01
                11            12            13            14            15 
      1  -0.182811D+01 -0.889828D+00  0.442824D+00  0.566693D+00 -0.163694D+01
      2  -0.123946D+01  0.341701D+01 -0.468349D+00 -0.186825D+01 -0.381608D+01
      3  -0.594095D+01  0.161880D+00 -0.210769D+00  0.373922D+00  0.204614D+01
                16            17            18            19            20 
      1  -0.131675D+01  0.421306D+01 -0.177752D+01  0.256151D+00 -0.378699D+00
      2  -0.288550D+00 -0.220287D+01  0.144483D+02 -0.306558D+00  0.118958D+01
      3  -0.763560D+00  0.303081D+01  0.285342D+01  0.326980D+01 -0.802543D+00
                21            22            23            24            25 
      1   0.334140D+01 -0.126958D+00 -0.224047D+01 -0.211414D+01  0.315237D+01
      2   0.601184D+00 -0.165052D+01  0.103720D+01 -0.691192D+00 -0.445801D+01
      3  -0.635745D+00  0.473022D+01 -0.577573D+01 -0.300885D+01  0.271461D+00
                26            27            28            29            30 
      1   0.146159D+01  0.838637D+01 -0.261924D+01 -0.991731D+00  0.151199D+01
      2   0.650565D+00 -0.433018D+01 -0.746770D+01  0.394569D+01 -0.150987D+01
      3  -0.121130D+01 -0.347250D+01 -0.830011D+01 -0.997502D+01 -0.522873D+00
                31            32            33            34            35 
      1  -0.919542D+00  0.312001D+00  0.307736D+01  0.388976D+00  0.439158D+01
      2   0.264313D+01 -0.138766D+01 -0.503135D+01 -0.492929D+01 -0.616868D-01
      3  -0.790323D+01  0.164564D+01  0.393851D+01  0.422330D+00  0.362202D+01
                36            37            38            39            40 
      1  -0.522829D+00  0.168594D+01  0.996454D-01 -0.258713D+01  0.156318D+01
      2   0.146232D+02  0.429788D+01 -0.806347D+00  0.121170D+02 -0.217896D+01
      3   0.246893D+01 -0.849819D+01 -0.524840D+01  0.151509D+00  0.176293D+02
                41            42            43            44            45 
      1   0.281488D+01 -0.714509D+01  0.203562D+01  0.314013D+01  0.474791D+00
      2  -0.137824D+01  0.218116D+01 -0.610747D+01 -0.145497D+01 -0.184509D+00
      3   0.602928D+01 -0.302175D+00 -0.321821D+01 -0.164766D+01 -0.215686D+00
                46            47            48            49            50 
      1   0.823402D+00 -0.739957D+00  0.326907D+01 -0.951952D+00 -0.357028D+01
      2  -0.382895D+01 -0.146783D+01 -0.839393D+01 -0.102301D+00  0.304110D+01
      3   0.736066D+01  0.555453D+01 -0.226805D+00  0.223531D+01 -0.135536D+01
                51            52            53            54            55 
      1  -0.741529D+00  0.854181D+00  0.695986D+00  0.112983D+02 -0.123014D+01
      2   0.254927D+01 -0.689890D+01 -0.743021D+00 -0.120078D+02 -0.660174D+01
      3  -0.251364D+01  0.843724D+00 -0.167101D+01 -0.416209D+01  0.192944D+02
                56            57            58            59            60 
      1   0.367334D+00 -0.705362D+00  0.196319D+01 -0.268283D+01 -0.753429D+01
      2   0.285381D+01  0.216255D+01  0.688881D+00 -0.295205D+01 -0.174661D+01
      3  -0.365445D+01 -0.201264D+00  0.634544D+01  0.736785D+01  0.104721D+01
                61            62            63            64            65 
      1   0.914583D+00  0.112451D+01 -0.311451D+01  0.132765D+01  0.404140D+00
      2  -0.399164D+01 -0.185034D+01 -0.146776D+01  0.997860D+00 -0.483813D+00
      3   0.349491D+01  0.324595D+01  0.953962D+00 -0.166351D+00 -0.203368D+01
                66            67            68            69            70 
      1   0.100107D+01  0.711577D-01  0.141186D+01 -0.170300D+01  0.113341D+01
      2   0.227834D+01  0.284156D-01  0.439522D+00 -0.352436D+00 -0.354446D+01
      3  -0.116447D+01  0.890500D+00 -0.290758D+00 -0.838514D+00 -0.301126D+01
                71            72            73            74            75 
      1   0.367995D+01  0.107832D+02  0.662055D+00 -0.173113D+00  0.827601D+00
      2  -0.615445D+00  0.763208D+01  0.467998D+01  0.285020D+01  0.504240D+01
      3  -0.183137D+01 -0.211047D+00  0.113779D+02 -0.287540D+01 -0.289237D+01
                76            77            78            79            80 
      1  -0.155517D+01  0.109098D+01 -0.231191D+01  0.983942D+00  0.329360D+01
      2   0.242105D+01  0.334838D+01 -0.402785D+01 -0.248216D+01 -0.156960D+01
      3   0.879555D+01  0.182200D+02 -0.310623D+01 -0.249815D+01 -0.641730D+01
                81            82            83            84            85 
      1  -0.267273D-01  0.279228D+00  0.978539D+00  0.310009D+00  0.504665D+00
      2   0.217270D+01 -0.302175D+01  0.144049D+00 -0.135113D+01  0.689597D+00
      3   0.121393D+01  0.104724D+00 -0.828104D-01 -0.283652D+00  0.206619D+01
                86            87            88            89            90 
      1  -0.364100D+00 -0.180840D+01  0.233087D+00  0.413263D+01  0.124288D+01
      2  -0.175336D+01  0.176508D+01 -0.559705D+01  0.117334D+01 -0.142251D+02
      3  -0.774254D+00  0.153464D+01 -0.502842D+00  0.242796D+01 -0.783130D+00
                91            92            93            94            95 
      1  -0.204203D+01  0.979453D+00 -0.136816D+01  0.486118D+00 -0.147565D+01
      2   0.135619D+00  0.546838D+00  0.917665D+00  0.108568D+01  0.219573D-01
      3   0.127233D+01 -0.237209D+01  0.149961D+01  0.259918D+00  0.106761D+01
                96            97            98            99           100 
      1  -0.257842D+00 -0.221616D+01  0.456055D+01 -0.931583D+01  0.224482D+01
      2   0.250680D+00 -0.408735D+01  0.289498D+00  0.499372D+01 -0.204624D+00
      3  -0.642964D+00  0.279160D+01 -0.214886D+01  0.159934D+01  0.883903D+01
               101           102           103           104           105 
      1  -0.233526D+01 -0.430875D+01 -0.878670D+00  0.822981D+01 -0.171025D+01
      2  -0.380899D+00  0.551124D+01  0.135188D+01 -0.136852D+01  0.143777D+01
      3  -0.110169D+02 -0.243331D+01  0.163293D+00  0.111164D+02  0.350761D+01
               106           107           108           109           110 
      1  -0.278428D+01  0.550264D+01  0.371653D+01  0.381528D+01  0.136505D+01
      2  -0.191914D+01  0.863621D+00 -0.175435D+01  0.108161D+02 -0.402893D+01
      3  -0.555184D+01  0.578210D+01  0.209861D+01  0.793358D+01  0.971530D+01
               111           112           113           114           115 
      1  -0.115917D+01  0.189541D+01  0.234248D+01 -0.364537D+01 -0.159757D+01
      2   0.874303D+00 -0.474421D+01  0.108348D+02  0.800271D+01 -0.967780D+01
      3  -0.342248D+00  0.214213D+02 -0.264012D+00 -0.122933D+02  0.862823D+00
               116           117           118           119           120 
      1  -0.341536D+01 -0.297075D+01 -0.283542D-01  0.117900D+01  0.408642D+00
      2   0.835217D+01 -0.491741D+01 -0.278893D+01 -0.322053D+00 -0.246443D+00
      3  -0.118756D+02 -0.697861D+01  0.257889D+00  0.911235D-01  0.333736D+00
               121           122           123           124           125 
      1   0.235449D+00 -0.152987D+01 -0.243285D+00  0.248050D+00  0.534768D+01
      2  -0.613616D-01 -0.234416D+01  0.115540D+01 -0.620488D+01  0.627620D+00
      3   0.267771D+01 -0.182595D+01  0.189779D+01  0.635114D+00  0.270151D+01
               126           127           128           129           130 
      1  -0.141147D+01  0.161039D+01 -0.496906D+00 -0.374530D+01  0.862856D+00
      2  -0.148191D+02 -0.270170D+01 -0.246314D+00  0.545917D+01  0.660242D+00
      3  -0.218479D+01  0.583470D+01 -0.824327D+01 -0.259760D+01  0.438173D+01
               131           132           133           134           135 
      1   0.124457D+02 -0.239383D+01 -0.191159D+01  0.649495D+01  0.565572D+01
      2  -0.486041D+01  0.215121D+00 -0.817530D+00  0.241940D+00 -0.261879D+01
      3   0.994251D+01  0.508959D+01 -0.628147D+01  0.959597D+01  0.324066D+01
               136           137           138           139           140 
      1  -0.210445D+01  0.171654D+00 -0.130372D+01  0.695968D+00 -0.167842D+01
      2   0.137043D+01  0.581011D+00  0.208258D+01  0.753294D+00  0.759679D+00
      3   0.101544D+01 -0.208651D+01  0.204166D+01  0.526219D-01  0.179925D+01
               141           142           143           144           145 
      1   0.506367D+00 -0.123763D+01  0.566715D+01 -0.109026D+02 -0.205733D+00
      2  -0.137986D+01 -0.374357D+01 -0.134581D+00  0.112362D+02  0.537565D+01
      3  -0.117250D+01  0.368232D+01 -0.198306D+01  0.306422D+01 -0.212807D+02
               146           147           148           149           150 
      1  -0.394129D+00  0.377977D+01  0.414421D-01  0.194706D+00 -0.111221D+01
      2  -0.118654D+01  0.339970D+01 -0.813943D+00  0.688192D+00 -0.105408D+01
      3  -0.168891D+00  0.826944D+00  0.214841D+01 -0.230280D+01 -0.721888D+00
               151           152           153           154           155 
      1   0.122706D+01 -0.286154D+00 -0.839502D+00  0.557832D-01  0.822397D-01
      2   0.440206D+00 -0.712510D+00 -0.405957D+00 -0.237095D+01 -0.186576D+01
      3  -0.925567D+00 -0.533893D+00 -0.593834D+00 -0.843393D+01 -0.942342D+01
               156           157           158           159           160 
      1  -0.901393D+00  0.460416D+00 -0.869657D+00 -0.107411D+01 -0.270424D+00
      2   0.457573D+01 -0.267636D+01 -0.288128D+01  0.457333D+01  0.235413D+01
      3   0.197074D+01 -0.842730D+01 -0.158031D+02  0.280597D+01  0.340228D+01
               161           162           163           164           165 
      1   0.719803D+00  0.395856D+00 -0.173657D+01  0.245676D+01  0.183818D+01
      2   0.182318D+01 -0.164694D+01  0.268176D+00 -0.104870D+00 -0.625770D+00
      3   0.472898D+01 -0.169358D+01 -0.557547D+01  0.570241D+01  0.203480D+01
               166           167           168           169           170 
      1   0.124768D+01 -0.779735D+01 -0.616796D+01  0.682097D+00 -0.323384D+01
      2  -0.352687D-01  0.809800D+00  0.150339D+01 -0.100799D+01  0.103489D+01
      3   0.732889D+01 -0.157065D+02 -0.252469D+01  0.338863D+01 -0.460528D+01
               171           172           173           174           175 
      1  -0.174434D+01  0.294706D+01  0.333177D+01  0.204865D+01  0.145107D+01
      2   0.478124D+00 -0.520073D+00 -0.648910D+01  0.135624D+02 -0.516090D+01
      3  -0.194332D+01 -0.912103D+01 -0.117732D+02  0.289888D+01 -0.744057D+01
               176           177           178           179           180 
      1   0.386978D+01 -0.426141D+01  0.578753D+00  0.556492D+01  0.565101D+01
      2  -0.259256D+01  0.450685D+01  0.504233D+01 -0.810137D+00  0.141516D+02
      3  -0.671785D+01  0.496467D+00  0.176926D+01  0.164699D+01  0.202345D+00
               181           182           183           184           185 
      1  -0.242020D+01 -0.194043D+01 -0.514382D+00 -0.218017D+01 -0.378454D+01
      2  -0.917462D+00  0.140902D-01  0.457592D+01  0.119587D+01 -0.339635D+01
      3  -0.940578D+01 -0.100369D+02  0.216702D+01 -0.857469D+01 -0.164200D+02
               186           187           188           189           190 
      1  -0.895174D-01  0.470735D+00  0.265761D+01 -0.695217D+00  0.557431D-01
      2   0.487938D+01  0.211357D+01  0.229400D+01 -0.128493D+01 -0.349580D+01
      3   0.541580D+01  0.178217D+01  0.457434D+01 -0.315896D+01  0.252116D+01
               191           192           193           194           195 
      1  -0.124522D+01  0.104748D+01 -0.146942D+01  0.336972D+01 -0.296154D+01
      2   0.157988D+01  0.340756D+01  0.122559D+01 -0.732390D+01 -0.110881D+02
      3  -0.553598D+01 -0.129571D+01 -0.505782D+01  0.153891D+02  0.843669D+01
               196           197           198           199           200 
      1   0.485076D+00  0.182433D+01 -0.169517D+01 -0.318355D+00  0.210204D+01
      2   0.225941D+01 -0.731868D+01 -0.103914D+02  0.875125D+00 -0.454978D+00
      3  -0.173449D+01  0.795791D+01  0.689143D+01 -0.237832D+01  0.426700D+01
               201           202           203           204           205 
      1   0.184929D+01  0.530361D+00 -0.779260D+01 -0.704780D+01  0.322619D+00
      2  -0.351619D+00 -0.810755D+00  0.284492D+01  0.270798D+01 -0.972309D+00
      3   0.162393D+01  0.528494D+01 -0.170608D+02 -0.407856D+01  0.279987D+01
               206           207           208           209           210 
      1  -0.590006D+01 -0.361415D+01 -0.254856D+01 -0.324363D+01 -0.708041D+00
      2   0.267007D+01  0.135129D+01  0.660310D+01  0.553080D+01 -0.599477D+01
      3  -0.791975D+01 -0.354663D+01  0.856192D+01  0.725893D+01 -0.269020D+01
               211           212           213           214           215 
      1  -0.245083D+01 -0.340425D+01 -0.533292D+00  0.295517D+00  0.223018D+01
      2   0.516270D+01  0.804573D+01 -0.792060D+01 -0.336951D+01 -0.417072D+01
      3   0.822297D+01  0.101254D+02 -0.526555D+01 -0.188762D+01 -0.501705D+01
               216 
      1   0.537446D+00
      2   0.674452D+01
      3   0.377224D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.773631D+01 -0.756948D+01 -0.110771D+01 -0.482083D+01  0.891789D+01
      2  -0.336248D+01  0.121060D+02  0.115355D+00  0.826757D+01 -0.193337D+02
      3  -0.437383D+01 -0.453648D+01  0.992358D+00 -0.344673D+01  0.104158D+02
      4  -0.120016D+01 -0.790894D+01 -0.239606D+00 -0.120912D+02  0.108463D+02
      5   0.206330D+01 -0.215198D+01 -0.545640D+01 -0.489989D+01  0.164918D+01
      6   0.149439D+01  0.326839D+01  0.748112D+01  0.325305D+01 -0.918666D+01
                 6             7             8             9            10 
      1   0.463428D+01  0.150131D+01  0.494256D+01  0.860816D+01 -0.361138D+02
      2  -0.160228D+01  0.379978D+01 -0.139864D+02  0.542515D+01  0.200160D+02
      3  -0.303201D+01 -0.530109D+01  0.904388D+01 -0.140333D+02  0.160978D+02
      4   0.257573D+01 -0.225667D+01  0.739842D+01  0.809904D+01  0.513516D+01
      5   0.394921D+01 -0.463161D+01  0.494523D+01 -0.221440D+02 -0.135061D+01
      6  -0.113683D+02  0.671378D+01 -0.721186D+01  0.275233D+02 -0.617826D+00
                11            12            13            14            15 
      1  -0.139514D+01  0.365116D+01  0.274682D+01  0.975680D+01 -0.484447D+00
      2   0.414272D+01  0.237593D+01 -0.154929D+01 -0.274712D+01 -0.957393D+00
      3  -0.274758D+01 -0.602709D+01 -0.119753D+01 -0.700968D+01  0.144184D+01
      4  -0.591604D+00 -0.320909D+00  0.880403D+01  0.470413D+00 -0.273124D+01
      5  -0.799716D+00 -0.280160D+00  0.100638D+01 -0.165175D+01 -0.715599D+01
      6   0.120839D+00  0.273137D+01 -0.129918D+01 -0.989048D-01 -0.882294D+00
                16            17            18            19            20 
      1  -0.528200D+01  0.193378D+01  0.187386D+02 -0.406633D+01  0.598158D+01
      2   0.359561D+01 -0.582434D+01  0.473647D+01  0.134491D+01 -0.122427D+02
      3   0.168639D+01  0.389056D+01 -0.234751D+02  0.272141D+01  0.626115D+01
      4   0.290171D+01 -0.358019D+01 -0.397468D+01 -0.327551D+01 -0.103235D+02
      5   0.716023D+01 -0.434630D+01  0.305019D+02  0.106101D+01  0.412200D+01
      6   0.907178D+00 -0.150637D+00  0.712583D+01 -0.182510D+00  0.434540D+01
                21            22            23            24            25 
      1  -0.251952D+01  0.218606D+01 -0.268717D+01 -0.489109D+01  0.292519D+01
      2   0.341284D+00 -0.861763D+01 -0.211980D+01  0.326476D+01  0.425377D+01
      3   0.217824D+01  0.643157D+01  0.480697D+01  0.162634D+01 -0.717895D+01
      4   0.164404D+01 -0.164107D+02 -0.867494D+01  0.215441D+01  0.478443D+01
      5  -0.654239D+01  0.234780D+01  0.461557D+01 -0.686659D+00 -0.330144D+01
      6  -0.810836D+01  0.346638D+01  0.656867D+01 -0.384511D+01 -0.507057D+01
                26            27            28            29            30 
      1  -0.126704D+01  0.418475D+00 -0.199753D+02  0.100514D+02 -0.149995D+01
      2   0.647345D+01  0.901808D+01  0.969390D+01 -0.112727D+02  0.104026D+01
      3  -0.520641D+01 -0.943655D+01  0.102814D+02  0.122126D+01  0.459687D+00
      4   0.787365D+01 -0.216476D+01 -0.205037D+01 -0.277861D+01 -0.819229D+00
      5   0.762030D+00 -0.141138D+02 -0.166286D+01 -0.157894D+01 -0.430145D+01
      6   0.524080D+00 -0.215686D+02 -0.292743D+00 -0.252256D+01 -0.179853D+01
                31            32            33            34            35 
      1   0.451216D+01  0.163651D+02 -0.446289D+01 -0.689518D+01 -0.956491D+00
      2  -0.319909D+01 -0.163607D+02 -0.498970D+01  0.257507D+01 -0.134734D+01
      3  -0.131307D+01 -0.440416D-02  0.945259D+01  0.432011D+01  0.230383D+01
      4  -0.468084D+01 -0.101648D+02 -0.637859D+01  0.512031D+01 -0.296717D+01
      5   0.221201D+01 -0.920691D+01 -0.111897D+02  0.173897D+00 -0.372125D+01
      6  -0.520450D+01  0.411571D+01 -0.414693D+01 -0.213686D+01  0.961442D+00
                36            37            38            39            40 
      1   0.229805D+02  0.183712D+02 -0.241109D+01  0.206319D+01 -0.109493D+01
      2   0.174512D+02 -0.110325D+02  0.246512D+01 -0.178992D+01  0.218940D+01
      3  -0.404317D+02 -0.733876D+01 -0.540313D-01 -0.273265D+00 -0.109447D+01
      4  -0.416673D+01 -0.861691D+01  0.197719D+02  0.333725D+00  0.176364D+02
      5   0.262066D+02  0.242160D+01  0.764296D+00  0.237435D+02 -0.217143D+01
      6   0.147606D+01  0.192700D+01  0.313861D+00  0.699594D+01  0.145373D+01
                41            42            43            44            45 
      1  -0.171512D+02  0.418953D+01  0.404371D+01  0.287314D+01 -0.767931D+01
      2   0.243190D+02  0.241717D+01 -0.493126D+01 -0.344493D+01 -0.580950D+01
      3  -0.716785D+01 -0.660670D+01  0.887555D+00  0.571790D+00  0.134888D+02
      4   0.157647D+00  0.902907D+00 -0.618451D+01 -0.764165D+00 -0.190018D+01
      5   0.202986D+01  0.386164D+01  0.745044D+01 -0.156798D+01  0.132140D+01
      6  -0.645700D+00  0.960112D+01 -0.124008D+01  0.703295D+01  0.690090D+00
                46            47            48            49            50 
      1  -0.160385D+02  0.474253D+01  0.239555D+01 -0.396707D+01 -0.214673D+01
      2   0.130506D+02 -0.712952D+01  0.188253D+01 -0.552924D+01 -0.686795D+01
      3   0.298788D+01  0.238699D+01 -0.427808D+01  0.949631D+01  0.901467D+01
      4   0.592760D+01 -0.206042D+02 -0.250868D+01 -0.208505D+02 -0.119655D+02
      5   0.930088D+00 -0.344065D+00 -0.233936D+02  0.277082D+01  0.217844D+01
      6  -0.124741D+01  0.211013D+01 -0.109870D+02  0.287100D+00  0.692945D+01
                51            52            53            54            55 
      1  -0.561424D+01  0.552214D+01 -0.493146D+01  0.793116D+01 -0.164294D+02
      2  -0.124709D+01  0.419934D+01  0.788614D+01  0.215112D+02  0.678789D+01
      3   0.686133D+01 -0.972148D+01 -0.295469D+01 -0.294423D+02  0.964152D+01
      4   0.288083D+01  0.185772D+01  0.593468D+01 -0.122494D+01  0.258016D+02
      5   0.419629D+01 -0.950529D+01  0.499040D+00 -0.282450D+02  0.106649D+01
      6  -0.472277D+01 -0.509781D+01  0.750488D+00 -0.258019D+02  0.292916D+01
                56            57            58            59            60 
      1   0.377667D+01 -0.703653D+00  0.403697D+01 -0.303797D+02 -0.913996D+01
      2  -0.214307D+01  0.225430D+01 -0.764579D+01  0.504823D+02  0.605674D+01
      3  -0.163360D+01 -0.155064D+01  0.360882D+01 -0.201026D+02  0.308322D+01
      4   0.305525D+01  0.132905D+01  0.133646D+02 -0.243167D+02 -0.568743D+01
      5  -0.376307D+00  0.536392D+01  0.281164D+01 -0.420450D+01 -0.210290D+01
      6  -0.695244D+00  0.410520D+00 -0.303982D+01  0.150627D+02  0.157737D+02
                61            62            63            64            65 
      1  -0.136662D+01 -0.112490D+02 -0.115241D+02  0.138087D+01  0.935120D+00
      2  -0.133047D+01  0.159049D+02  0.210186D+01 -0.373366D+01 -0.188087D+01
      3   0.269709D+01 -0.465592D+01  0.942220D+01  0.235279D+01  0.945747D+00
      4   0.775169D+01 -0.106372D+02 -0.691364D+01 -0.169179D+01  0.439876D+01
      5   0.773179D+01 -0.622429D+01 -0.348749D+01  0.485996D+01 -0.129740D+01
      6  -0.471007D+01  0.187964D+02  0.815564D+01 -0.401858D+01  0.404818D+00
                66            67            68            69            70 
      1   0.206950D+01  0.112993D+01 -0.433655D+01  0.345771D+01  0.170768D+01
      2  -0.311963D+01 -0.186229D+01  0.345785D+01 -0.299209D+01 -0.326283D+01
      3   0.105014D+01  0.732358D+00  0.878700D+00 -0.465613D+00  0.155515D+01
      4  -0.364509D+01  0.376842D+01 -0.314530D+01  0.288992D+01 -0.566028D+01
      5   0.101211D+02 -0.143947D+00  0.273618D+01 -0.178904D+01  0.803965D+01
      6  -0.275208D+01  0.111658D+01 -0.436608D+01  0.947548D+01 -0.435773D+01
                71            72            73            74            75 
      1   0.514342D+01 -0.150638D+02  0.575365D+02 -0.170940D+02  0.211459D+01
      2  -0.421848D+01 -0.139508D+02 -0.348289D+02  0.815646D+01 -0.238653D+01
      3  -0.924941D+00  0.290146D+02 -0.227076D+02  0.893754D+01  0.271943D+00
      4   0.487827D+01 -0.498266D+01 -0.207110D+02  0.380023D+01  0.410519D+01
      5  -0.317226D+01  0.218907D+02  0.586768D+01  0.525720D+01  0.108632D+02
      6   0.867613D+01 -0.280091D+02  0.727783D+00  0.428225D+00 -0.208473D+01
                76            77            78            79            80 
      1  -0.346736D+02 -0.101320D+02  0.443889D+01  0.185128D+02  0.450732D+01
      2   0.188544D+02  0.930077D+01 -0.225628D+01 -0.102441D+02 -0.196144D+01
      3   0.158192D+02  0.831226D+00 -0.218261D+01 -0.826867D+01 -0.254588D+01
      4  -0.208165D+01 -0.244528D+02  0.715742D+01  0.420563D+01  0.914894D+01
      5   0.574610D+01  0.820948D+01 -0.631098D+01  0.127031D+02 -0.322220D+01
      6   0.210139D+01  0.221948D+01  0.556011D+01 -0.103845D+01  0.360327D+01
                81            82            83            84            85 
      1   0.128472D+01  0.742083D+00  0.167518D+00 -0.646714D+01  0.886223D+00
      2  -0.770667D+01 -0.383388D+01  0.105025D+00  0.533817D+00 -0.450469D+00
      3   0.642195D+01  0.309180D+01 -0.272543D+00  0.593332D+01 -0.435755D+00
      4  -0.301141D+01 -0.372419D+00  0.284165D+00 -0.231873D+00  0.300788D+00
      5   0.300228D+01 -0.199618D+01 -0.304470D+00  0.349775D+01 -0.195340D+00
      6   0.581241D+00 -0.850084D+00  0.648937D+00 -0.860660D+00  0.379859D+00
                86            87            88            89            90 
      1  -0.578434D+01  0.240153D+01 -0.923176D+01  0.216600D+01 -0.220734D+02
      2   0.111150D+01  0.170163D-01  0.371336D+01  0.718044D+00 -0.167068D+02
      3   0.467284D+01 -0.241854D+01  0.551841D+01 -0.288405D+01  0.387802D+02
      4   0.166049D+01 -0.248062D+01 -0.103309D+01 -0.453466D+01  0.220098D+01
      5  -0.283559D+01  0.294185D+01  0.445623D+01  0.281439D+01 -0.260795D+02
      6  -0.204627D+01  0.911108D+01 -0.303203D+00  0.544758D+01 -0.622724D+01
                91            92            93            94            95 
      1   0.274633D+01 -0.249888D+01  0.218290D+01 -0.206317D+01 -0.678100D+00
      2  -0.423346D+01  0.337368D+01 -0.194926D+01  0.265059D+01 -0.115526D+01
      3   0.148713D+01 -0.874799D+00 -0.233644D+00 -0.587420D+00  0.183336D+01
      4   0.375870D+00  0.382465D+01  0.125777D+01  0.423699D+01  0.707583D+00
      5   0.416257D+01 -0.957107D+00  0.746922D+01 -0.353847D+00  0.240915D+01
      6   0.226090D+01 -0.578496D-01  0.237594D+01  0.580075D+00  0.133125D+01
                96            97            98            99           100 
      1  -0.155033D+01  0.212153D+01 -0.348444D+01 -0.113771D+02  0.148969D+02
      2   0.212002D+01 -0.437409D+01  0.569177D+01 -0.159717D+02 -0.317107D+01
      3  -0.569689D+00  0.225256D+01 -0.220732D+01  0.273488D+02 -0.117258D+02
      4   0.277537D+01  0.311277D+01  0.399937D+01  0.132944D+01  0.230197D+02
      5   0.204697D+00  0.741274D+01 -0.517666D+00  0.167716D+02 -0.485767D+01
      6   0.532557D+01  0.290856D+01  0.399427D+01  0.187343D+02 -0.659407D+01
               101           102           103           104           105 
      1  -0.983278D+01 -0.541400D+00 -0.329507D+01  0.942753D+01  0.818814D+01
      2   0.233684D+02  0.332885D+01  0.135338D+02 -0.888872D+01 -0.998490D+01
      3  -0.135356D+02 -0.278745D+01 -0.102387D+02 -0.538811D+00  0.179676D+01
      4   0.263973D+02 -0.454892D+01  0.238459D+02  0.149780D+02 -0.481141D+01
      5  -0.150698D+01  0.115865D+02 -0.138928D+01 -0.861464D+01  0.170121D+01
      6  -0.343289D+01  0.761976D+01 -0.288550D+01 -0.131035D+02  0.898289D+01
               106           107           108           109           110 
      1  -0.320353D+01  0.129081D+02 -0.356004D+01  0.114429D+02 -0.183169D+02
      2   0.872686D+00 -0.202124D+02 -0.389382D+01 -0.836265D+01  0.139154D+02
      3   0.233084D+01  0.730428D+01  0.745386D+01 -0.308029D+01  0.440149D+01
      4  -0.934126D+01 -0.120187D+02  0.709682D+01 -0.149928D+02 -0.185160D+02
      5   0.102343D+02  0.395380D+01 -0.409963D+01  0.945071D+01  0.583101D-01
      6   0.876866D+01  0.117037D+02 -0.849369D+01 -0.201461D+01  0.652146D+01
               111           112           113           114           115 
      1   0.100124D+02 -0.192525D+02 -0.248339D+02  0.345107D+01  0.107562D+02
      2  -0.151022D+01  0.139804D+02  0.842310D+01 -0.871546D+01 -0.386186D+01
      3  -0.850220D+01  0.527213D+01  0.164108D+02  0.526439D+01 -0.689435D+01
      4  -0.232558D+01 -0.319044D+02  0.953997D+01  0.283407D+02 -0.187523D+01
      5  -0.100945D+02 -0.387690D+00  0.322767D+02  0.189141D+02 -0.374599D+02
      6   0.394677D+01  0.112689D+02 -0.111642D+02 -0.124305D+02  0.112419D+02
               116           117           118           119           120 
      1   0.439766D+01 -0.145873D+02  0.176791D+01 -0.267133D+00 -0.518356D+01
      2  -0.356287D+01  0.840635D+01 -0.518292D+01  0.225672D+00  0.127841D+01
      3  -0.834799D+00  0.618095D+01  0.341501D+01  0.414614D-01  0.390515D+01
      4   0.223940D+02  0.223761D+02 -0.263018D+00  0.174379D+01  0.110744D+01
      5   0.217289D+02 -0.367419D+01 -0.384593D+01 -0.690952D-01  0.706975D+01
      6  -0.223172D+02 -0.558886D+01  0.513385D+00  0.903692D+00 -0.336041D+00
               121           122           123           124           125 
      1  -0.183050D-01 -0.628707D+01  0.865258D+00 -0.507821D+01  0.164800D+01
      2  -0.528396D+00  0.120913D+01  0.190755D+01  0.610701D+01  0.118853D+01
      3   0.546701D+00  0.507794D+01 -0.277281D+01 -0.102880D+01 -0.283654D+01
      4   0.171682D+01  0.196087D+01 -0.215563D+01  0.112523D+01 -0.298092D+01
      5  -0.732799D+00 -0.295433D+01  0.303997D+01  0.873703D+01  0.186696D+01
      6   0.316603D+00 -0.548397D+00  0.898417D+01  0.829630D+00  0.641598D+01
               126           127           128           129           130 
      1  -0.265866D+02  0.138733D+02 -0.706359D+01 -0.304544D+01  0.180793D+00
      2  -0.235144D+02 -0.631734D-01  0.205704D+02  0.448848D+01  0.112465D+02
      3   0.501010D+02 -0.138101D+02 -0.135068D+02 -0.144303D+01 -0.114272D+02
      4   0.203452D+01  0.199679D+02  0.275859D+02 -0.353269D+01  0.243710D+02
      5  -0.261460D+02 -0.264324D+01  0.824533D+00  0.101341D+02 -0.784965D+00
      6   0.230986D+01 -0.392619D+01  0.148428D+01  0.721629D+01  0.633542D+00
               131           132           133           134           135 
      1   0.127651D+02  0.126029D+02 -0.621285D+01  0.193748D+02 -0.626545D+00
      2  -0.109398D+02 -0.155473D+02  0.120189D+01 -0.331714D+02 -0.806526D+01
      3  -0.182523D+01  0.294432D+01  0.501096D+01  0.137966D+02  0.869181D+01
      4   0.141323D+02 -0.600032D+01 -0.104100D+02 -0.174891D+02  0.452134D+01
      5  -0.787631D+01 -0.140833D-01  0.917341D+01  0.820187D+00 -0.378081D+01
      6  -0.222576D+02  0.577824D+01  0.688056D+01  0.518746D+01 -0.104153D+02
               136           137           138           139           140 
      1   0.223019D+01 -0.441228D+00  0.238316D+01 -0.148033D+01 -0.252916D+01
      2  -0.581949D+01  0.590024D+00 -0.333237D+01  0.254495D+01 -0.444384D+00
      3   0.358930D+01 -0.148796D+00  0.949211D+00 -0.106462D+01  0.297354D+01
      4   0.155550D+01  0.415726D+01  0.376619D+01  0.413402D+01  0.454114D+00
      5   0.646265D+01  0.805026D+00  0.123240D+02 -0.847383D+00  0.309899D+01
      6   0.400254D+01  0.957159D+00  0.341819D+01  0.886729D+00  0.194814D+01
               141           142           143           144           145 
      1  -0.105443D+01  0.741096D+00 -0.265064D+01 -0.179334D+02  0.263901D+02
      2   0.424843D+01 -0.532864D+01  0.415732D+01 -0.233832D+02 -0.475307D+01
      3  -0.319400D+01  0.458755D+01 -0.150668D+01  0.413166D+02 -0.216370D+02
      4   0.241065D+01  0.648600D+01  0.620892D+01  0.277825D+01 -0.418645D+02
      5  -0.319028D+01  0.123661D+02  0.194945D+01  0.272053D+02 -0.695162D+01
      6   0.590074D+01  0.514773D+01  0.694812D+01  0.247711D+02  0.215665D+01
               146           147           148           149           150 
      1  -0.204509D+01  0.130260D+00 -0.273483D+01  0.173733D+01  0.278466D+00
      2  -0.972203D+01  0.342346D-01 -0.290239D+01  0.399170D+01 -0.545711D+00
      3   0.117671D+02 -0.164494D+00  0.563722D+01 -0.572903D+01  0.267245D+00
      4   0.224920D+02  0.366179D+01  0.122123D+02 -0.764926D+01 -0.878598D+00
      5   0.317290D+01  0.545888D+01  0.164350D+01 -0.607879D+00 -0.241299D+01
      6  -0.319373D+01 -0.674226D+01 -0.148984D+01  0.701473D+00  0.184500D+01
               151           152           153           154           155 
      1   0.122440D+01 -0.845085D-01  0.871055D+00  0.345473D+02  0.163991D+02
      2  -0.346419D+00 -0.303311D+00 -0.256264D+00 -0.175673D+02 -0.818869D+01
      3  -0.877985D+00  0.387820D+00 -0.614791D+00 -0.169800D+02 -0.821045D+01
      4  -0.748249D+00  0.225785D+00 -0.310508D+01  0.167482D+02  0.164208D+02
      5   0.416929D+01 -0.173617D+01 -0.107547D+01 -0.612620D+01 -0.395295D+01
      6  -0.294019D+01  0.281253D+01  0.219080D+01 -0.121565D+01 -0.847783D+00
               156           157           158           159           160 
      1  -0.523734D+01  0.309982D+02  0.154742D+02 -0.455768D+01 -0.100585D+02
      2   0.244624D+01 -0.160236D+02 -0.548034D+01  0.243591D+01  0.598681D+01
      3   0.279110D+01 -0.149746D+02 -0.999384D+01  0.212178D+01  0.407174D+01
      4  -0.338202D+01  0.197706D+02  0.227958D+02 -0.559231D+01 -0.615126D+01
      5   0.825816D+01 -0.640978D+01 -0.617074D+01  0.762121D+01  0.786339D+01
      6   0.115752D+01 -0.178167D+01 -0.182076D+01  0.118248D+01  0.150103D+01
               161           162           163           164           165 
      1  -0.555098D+01  0.538628D+01 -0.260252D+01  0.867491D+01  0.807142D+00
      2   0.311193D+01 -0.329702D+01  0.396523D+01 -0.132887D+02 -0.216664D+01
      3   0.243906D+01 -0.208926D+01 -0.136271D+01  0.461384D+01  0.135950D+01
      4  -0.718077D+01  0.367432D+01 -0.260541D+01 -0.619943D+00  0.135900D+01
      5   0.442887D+01 -0.390266D+01  0.389228D+00 -0.121835D+01 -0.164775D+01
      6   0.229004D+01 -0.159544D+01  0.166572D+01 -0.349753D+00 -0.167244D+01
               166           167           168           169           170 
      1   0.495685D+01 -0.304043D+02 -0.263807D+01  0.156279D+01 -0.817767D+01
      2  -0.405781D+01  0.533450D+02  0.686735D+01 -0.130292D+01  0.135407D+02
      3  -0.899046D+00 -0.229407D+02 -0.422928D+01 -0.259867D+00 -0.536301D+01
      4   0.727070D+01  0.145116D+02  0.115950D+01  0.219556D+01  0.399318D+01
      5  -0.143382D+01  0.374507D+01  0.343856D+01  0.438303D+00  0.248798D+01
      6  -0.847352D+00  0.127155D+01  0.785029D+01 -0.823104D+00  0.597803D+01
               171           172           173           174           175 
      1  -0.397623D+01  0.342369D+02  0.111041D+02  0.313568D+01  0.156591D+02
      2   0.524418D+01 -0.207201D+02 -0.952432D+01 -0.611785D+01 -0.121073D+02
      3  -0.126795D+01 -0.135169D+02 -0.157976D+01  0.298217D+01 -0.355187D+01
      4   0.108898D+01 -0.423260D+01  0.168680D+02 -0.728226D+01  0.155760D+02
      5   0.527960D+00  0.169651D+02 -0.405395D+01  0.221894D+02 -0.252505D+01
      6   0.223638D+01 -0.338889D+00  0.903910D+01 -0.772784D+01  0.641266D+01
               176           177           178           179           180 
      1   0.157588D+02 -0.559851D+01  0.713261D+01 -0.912527D+01  0.821900D+01
      2  -0.622213D+01  0.330867D+01 -0.744023D+01  0.327436D+01 -0.226818D+02
      3  -0.953665D+01  0.228984D+01  0.307615D+00  0.585091D+01  0.144628D+02
      4   0.288701D+01  0.282907D+01 -0.866253D+01  0.107932D+00 -0.114750D+02
      5   0.447653D+01  0.427818D+01  0.359711D+02 -0.105622D+02  0.297761D+02
      6   0.410801D+01  0.216770D+01 -0.109039D+02  0.137348D+02 -0.292721D+01
               181           182           183           184           185 
      1   0.366748D+02  0.191541D+02 -0.813588D+01  0.308917D+02  0.165266D+02
      2  -0.198886D+02 -0.102499D+02  0.493550D+01 -0.173848D+02 -0.611510D+01
      3  -0.167863D+02 -0.890416D+01  0.320037D+01 -0.135069D+02 -0.104115D+02
      4   0.174396D+02  0.165853D+02 -0.329322D+01  0.193330D+02  0.244386D+02
      5  -0.122417D+02 -0.566384D+01  0.112850D+02 -0.911926D+01 -0.125496D+02
      6  -0.145336D+01 -0.307267D+01  0.430774D+00 -0.342402D+01 -0.281825D+01
               186           187           188           189           190 
      1  -0.542013D+01 -0.899571D+01 -0.293923D+01  0.696047D+01  0.137061D+02
      2   0.468559D+01  0.620617D+01  0.300869D+01 -0.609514D+01 -0.470892D+01
      3   0.734540D+00  0.278954D+01 -0.694596D-01 -0.865331D+00 -0.899716D+01
      4  -0.102593D+02 -0.343830D+01 -0.779457D+01  0.523489D+01 -0.140373D+02
      5   0.101359D+02  0.137770D+02  0.710184D+01 -0.669694D+01 -0.139271D+02
      6   0.324033D+01  0.894875D+00  0.472965D+01 -0.237400D+01  0.631913D+01
               191           192           193           194           195 
      1  -0.790308D+01 -0.929252D+01 -0.132743D+02  0.483129D+01  0.266797D+00
      2   0.139443D+01  0.451977D+01  0.219233D+01  0.100610D+02  0.352150D+01
      3   0.650865D+01  0.477275D+01  0.110819D+02 -0.148923D+02 -0.378830D+01
      4   0.163547D+02  0.829416D+01  0.276650D+02 -0.377694D+02 -0.218058D+02
      5   0.773631D+01  0.123478D+02  0.145001D+02 -0.232008D+02 -0.251378D+02
      6  -0.497313D+01 -0.490568D+01 -0.946245D+01  0.185344D+02  0.170017D+02
               196           197           198           199           200 
      1  -0.107405D+02  0.741520D-01  0.159397D+01 -0.165719D+01  0.981904D+01
      2   0.588148D+01  0.182435D+01 -0.341599D+01  0.356879D+01 -0.140774D+02
      3   0.485903D+01 -0.189850D+01  0.182202D+01 -0.191159D+01  0.425840D+01
      4   0.124891D+02 -0.184966D+02 -0.183893D+02  0.551649D+00  0.214972D+01
      5   0.189219D+02 -0.194572D+02 -0.260146D+02  0.510338D+00 -0.682904D+00
      6  -0.802698D+01  0.151104D+02  0.160475D+02  0.197134D+01 -0.428006D+01
               201           202           203           204           205 
      1   0.287092D+01  0.441950D+01 -0.358558D+02 -0.833937D+01  0.228600D+01
      2  -0.356640D+01 -0.207957D+01  0.627907D+02  0.132883D+02 -0.139209D+01
      3   0.695480D+00 -0.233992D+01 -0.269349D+02 -0.494896D+01 -0.893913D+00
      4   0.109879D+01  0.794371D+01  0.226163D+02  0.382887D+01  0.337376D+01
      5  -0.467352D+00  0.853192D-01  0.680644D+01  0.552517D+01  0.913700D+00
      6  -0.289509D+01 -0.525109D+00  0.165686D+02  0.119579D+02 -0.487229D+00
               206           207           208           209           210 
      1  -0.167791D+02 -0.799283D+01 -0.156882D+02 -0.118306D+02  0.777153D+01
      2   0.262461D+02  0.109575D+02  0.998044D+01  0.823819D+01 -0.256307D+01
      3  -0.946700D+01 -0.296463D+01  0.570776D+01  0.359240D+01 -0.520846D+01
      4   0.933629D+01  0.356687D+01  0.993972D+00 -0.748171D+01  0.379162D+01
      5   0.572490D+01  0.249087D+01 -0.221708D+01  0.183615D+01 -0.795503D+01
      6   0.148604D+02  0.791139D+01 -0.321607D+01 -0.712062D+01  0.708654D+01
               211           212           213           214           215 
      1  -0.169979D+02 -0.163982D+02  0.923077D+01  0.810053D+01  0.748108D+01
      2   0.106148D+02  0.142702D+02 -0.580930D+01 -0.350500D+01 -0.473914D+01
      3   0.638308D+01  0.212805D+01 -0.342147D+01 -0.459553D+01 -0.274195D+01
      4   0.350588D+00 -0.124152D+02  0.726628D+01  0.357471D+00  0.694460D+01
      5  -0.172919D+01  0.564144D+01 -0.981754D+01  0.148605D+01 -0.295320D+01
      6  -0.380670D+01 -0.116845D+02  0.923119D+01  0.294506D+01  0.718733D+01
               216 
      1  -0.772763D+01
      2   0.218057D+01
      3   0.554706D+01
      4  -0.269306D+01
      5   0.815571D+01
      6  -0.713338D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.171391D+01      0.435633D+01      0.145312D+02
   x         -0.115276D+01     -0.293002D+01     -0.977350D+01
   y         -0.956242D+00     -0.243052D+01     -0.810735D+01
   z         -0.833212D+00     -0.211781D+01     -0.706427D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119581D+03      0.177201D+02      0.197163D+02
   aniso      0.167132D+02      0.247665D+01      0.275564D+01
   xx         0.127181D+03      0.188462D+02      0.209693D+02
   yx         0.270505D+01      0.400848D+00      0.446003D+00
   yy         0.121777D+03      0.180455D+02      0.200784D+02
   zx        -0.252811D+01     -0.374627D+00     -0.416829D+00
   zy        -0.375153D+00     -0.555919D-01     -0.618544D-01
   zz         0.109786D+03      0.162686D+02      0.181013D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114307D+03      0.169385D+02      0.188467D+02
   aniso      0.204882D+02      0.303603D+01      0.337804D+01
   xx         0.124281D+03      0.184166D+02      0.204912D+02
   yx         0.160282D+01      0.237514D+00      0.264270D+00
   yy         0.117065D+03      0.173473D+02      0.193015D+02
   zx        -0.160958D+01     -0.238516D+00     -0.265385D+00
   zy        -0.381317D+00     -0.565053D-01     -0.628706D-01
   zz         0.101574D+03      0.150517D+02      0.167473D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.42371345         -2.31825380         -0.08745804
     6         -2.37877006         -0.32950527          1.74046747
     6          0.36393010         -1.15961162         -2.01126163
     6          2.46929851          0.30003364         -0.67912699
     8          1.41183360          2.10103138          1.04275652
     6         -0.13683676          1.01926033          2.93502196
     8         -3.42798117         -3.47967226         -1.44510478
     1         -0.38445762         -3.75450945          0.99363755
     8         -3.88122708         -1.58429511          3.57558061
     1         -3.49149153          1.08390141          0.71297505
     1         -0.69819354          0.15585496         -3.20547373
     8          1.52451616         -3.05990222         -3.50392099
     6          4.11114118          1.80325654         -2.49177161
     1          3.66412720         -1.05181266          0.34863274
     8         -1.08804274          2.94625593          4.45811426
     1          0.98896690         -0.33014576          4.05006302
     1         -4.61955073         -4.12853760         -0.22749956
     1         -4.51815251         -0.33031598          4.73421679
     1          0.19076394         -4.09033051         -4.19914722
     8          2.72431456          3.69976966         -3.77540719
     1          4.87054461          0.53499619         -3.92286115
     1          5.68713508          2.62717221         -1.42844320
     1          0.28021783          3.69657011          5.39814566
     1          1.89251090          4.71058165         -2.50562792

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.171391D+01      0.435633D+01      0.145312D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.171391D+01      0.435633D+01      0.145312D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119581D+03      0.177201D+02      0.197163D+02
   aniso      0.167132D+02      0.247665D+01      0.275564D+01
   xx         0.120255D+03      0.178200D+02      0.198274D+02
   yx         0.309050D+01      0.457964D+00      0.509554D+00
   yy         0.116928D+03      0.173269D+02      0.192788D+02
   zx        -0.751494D+01     -0.111360D+01     -0.123905D+01
   zy         0.462363D+01      0.685151D+00      0.762333D+00
   zz         0.121561D+03      0.180135D+02      0.200427D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114307D+03      0.169385D+02      0.188467D+02
   aniso      0.204882D+02      0.303603D+01      0.337804D+01
   xx         0.114362D+03      0.169468D+02      0.188558D+02
   yx         0.559685D+01      0.829367D+00      0.922795D+00
   yy         0.111946D+03      0.165887D+02      0.184574D+02
   zx        -0.916504D+01     -0.135812D+01     -0.151111D+01
   zy         0.437655D+01      0.648538D+00      0.721596D+00
   zz         0.116612D+03      0.172801D+02      0.192267D+02

 ----------------------------------------------------------------------
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 BUT 'GLORY' DOESN'T MEAN 'A NICE KNOCK DOWN ARGUMENT', ALICE OBJECTED.
 WHEN I USE A WORD, HUMPTY DUMPTY SAID, IN A RATHER SCORNFUL TONE,
 IT MEANS JUST WHAT I CHOOSE IT TO MEAN....
 NEITHER MORE NOR LESS....
 THE QUESTION IS, SAID ALICE,
 WHETHER YOU CAN MAKE WORDS MEAN SO MANY DIFFERENT THINGS...
 THE QUESTION IS, SAID HUMPTY DUMPTY,
 WHICH IS TO BE MASTER....
 THAT IS ALL.....

 ALICE THROUGH THE LOOKING GLASS
 Job cpu time:       0 days  5 hours 58 minutes 23.4 seconds.
 Elapsed time:       0 days  0 hours 44 minutes 55.4 seconds.
 File lengths (MBytes):  RWF=    435 Int=      0 D2E=      0 Chk=     20 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 19:58:48 2022.
